TY - JOUR AU - Hoveyda, A. H. AU - Schrock, R. R. PY - 2001 DA - 2001// TI - Catalytic asymmetric olefin metathesis JO - Chem – A Eur J VL - 7 UR - https://doi.org/3.0.CO;2-3 DO - 3.0.CO;2-3 ID - Hoveyda2001 ER - TY - JOUR AU - Grubbs, R. H. AU - Chang, S. PY - 1998 DA - 1998// TI - Recent advances in olefin metathesis and its application in organic synthesis JO - Tetrahedron VL - 54 UR - https://doi.org/10.1016/S0040-4020(97)10427-6 DO - 10.1016/S0040-4020(97)10427-6 ID - Grubbs1998 ER - TY - BOOK AU - Gastegger, M. PY - 2013 DA - 2013// TI - De-novo enzyme design for olefin metathesis PB - University of Vienna CY - Vienna ID - Gastegger2013 ER - TY - CHAP AU - Bains, W. ED - Pontarotti, P. PY - 2014 DA - 2014// TI - A trip through chemical space: why life has evolved the chemistry that it has BT - Evolutionary biology: genome evolution, speciation, coevolution and origin of life PB - Springer CY - Cham, Switzerland ID - Bains2014 ER - TY - JOUR AU - Bains, W. AU - Seager, S. PY - 2012 DA - 2012// TI - A Combinatorial approach to biochemical space: description and application to the redox distribution of metabolism JO - Astrobiology VL - 12 UR - https://doi.org/10.1089/ast.2011.0718 DO - 10.1089/ast.2011.0718 ID - Bains2012 ER - TY - JOUR AU - Yu, B. AU - Reynisson, J. PY - 2011 DA - 2011// TI - Bond stability of the “undesirable” heteroatom–heteroatom molecular moieties for high-throughput screening libraries JO - Eur J Med Chem VL - 46 UR - https://doi.org/10.1016/j.ejmech.2011.09.044 DO - 10.1016/j.ejmech.2011.09.044 ID - Yu2011 ER - TY - JOUR AU - Bains, W. AU - Basman, A. AU - White, C. PY - 2004 DA - 2004// TI - HERG binding specificity and binding site structure: evidence from a fragment-based evolutionary computing SAR study JO - Prog Biophys Mol Biol VL - 86 UR - https://doi.org/10.1016/j.pbiomolbio.2003.09.001 DO - 10.1016/j.pbiomolbio.2003.09.001 ID - Bains2004 ER - TY - JOUR AU - Bains, W. AU - Gilbert, R. AU - Sviridenko, L. AU - Gascon, J. -. M. AU - Scoffin, R. AU - Birchall, K. PY - 2002 DA - 2002// TI - Evolutionary computational methods to predict oral bioavailability QRPRs JO - Curr Opin Drug Discov Devel VL - 5 ID - Bains2002 ER - TY - JOUR AU - Seager, S. AU - Bains, W. PY - 2015 DA - 2015// TI - The search for signs of life on exoplanets at the interface of chemistry and planetary science JO - Sci Adv VL - 1 UR - https://doi.org/10.1126/sciadv.1500047 DO - 10.1126/sciadv.1500047 ID - Seager2015 ER - TY - STD TI - Roche, ExPaSy. Biochemical Pathway Maps. (http://web.expasy.org/pathways/). 2015. UR - http://web.expasy.org/pathways/ ID - ref10 ER - TY - STD TI - DNP. Dictionary of Natural Products. 2015. http://dnp.chemnetbase.com/. Accessed 1/12/2015. UR - http://dnp.chemnetbase.com/ ID - ref11 ER - TY - JOUR AU - Sanderson, D. M. AU - Earnshaw, C. G. PY - 1991 DA - 1991// TI - Computer prediction of possible toxic action from chemical structure; the DEREK system JO - Hum Exp Toxicol VL - 10 UR - https://doi.org/10.1177/096032719101000405 DO - 10.1177/096032719101000405 ID - Sanderson1991 ER - TY - JOUR AU - Netzeva, T. I. AU - Pavan, M. AU - Worth, A. P. PY - 2008 DA - 2008// TI - Review of (quantitative) structure–activity relationships for acute aquatic toxicity JO - QSAR Comb Sci VL - 27 UR - https://doi.org/10.1002/qsar.200710099 DO - 10.1002/qsar.200710099 ID - Netzeva2008 ER - TY - JOUR AU - Ashby, J. AU - Tennant, R. W. PY - 1988 DA - 1988// TI - Chemical structure, Salmonella mutagenicity and extent of carcinogenicity as indicators of genotoxic carcinogenesis among 222 chemicals tested in rodents by the U.S. NCI/NTP JO - Mutat Res/Genet Toxicol VL - 204 UR - https://doi.org/10.1016/0165-1218(88)90114-0 DO - 10.1016/0165-1218(88)90114-0 ID - Ashby1988 ER - TY - JOUR AU - Hansch, C. AU - Hoekman, D. AU - Leo, A. AU - Zhang, L. AU - Li, P. PY - 1995 DA - 1995// TI - The expanding role of quantitative structure-activity relationships (QSAR) in toxicology JO - Toxicol Lett VL - 79 UR - https://doi.org/10.1016/0378-4274(95)03356-P DO - 10.1016/0378-4274(95)03356-P ID - Hansch1995 ER - TY - JOUR AU - Schultz, T. W. AU - Cronin, M. T. D. AU - Netzeva, T. I. PY - 2003 DA - 2003// TI - The present status of QSAR in toxicology JO - J Mol Struct THEOCHEM VL - 622 UR - https://doi.org/10.1016/S0166-1280(02)00615-2 DO - 10.1016/S0166-1280(02)00615-2 ID - Schultz2003 ER - TY - JOUR AU - Schultz, T. W. AU - Cronin, M. T. D. AU - Walker, J. D. AU - Aptula, A. O. PY - 2003 DA - 2003// TI - Quantitative structure–activity relationships (QSARs) in toxicology: a historical perspective JO - J Mol Struct THEOCHEM VL - 622 UR - https://doi.org/10.1016/S0166-1280(02)00614-0 DO - 10.1016/S0166-1280(02)00614-0 ID - Schultz2003 ER - TY - JOUR AU - Ashby, J. AU - Tennant, R. W. PY - 1988 DA - 1988// TI - Chemical structure, Salmonella mutagenicity and extent of carcinogenicity as indicators of genotoxic carcinogenesis among 222 chemcials tested in rodents by the US NCI/NTP JO - Mutat Res VL - 204 UR - https://doi.org/10.1016/0165-1218(88)90114-0 DO - 10.1016/0165-1218(88)90114-0 ID - Ashby1988 ER - TY - JOUR AU - Ridings, J. E. AU - Barratt, M. D. AU - Cary, R. AU - Earnshaw, C. G. AU - Eggington, C. E. AU - Ellis, M. K. PY - 1996 DA - 1996// TI - Computer prediction of possible toxic action from chemical structure: an update on the DEREK system JO - Toxicology VL - 106 UR - https://doi.org/10.1016/0300-483X(95)03190-Q DO - 10.1016/0300-483X(95)03190-Q ID - Ridings1996 ER - TY - JOUR AU - Greene, N. PY - 2002 DA - 2002// TI - Computer systems for the prediction of toxicity: an update JO - Adv Drug Deliv Rev VL - 54 UR - https://doi.org/10.1016/S0169-409X(02)00012-1 DO - 10.1016/S0169-409X(02)00012-1 ID - Greene2002 ER - TY - JOUR AU - Amini, A. AU - Muggleton, S. H. AU - Lodhi, H. AU - Sternberg, M. J. E. PY - 2007 DA - 2007// TI - A novel logic-based approach for quantitative toxicology prediction JO - J Chem Inf Model VL - 47 UR - https://doi.org/10.1021/ci600223d DO - 10.1021/ci600223d ID - Amini2007 ER - TY - JOUR AU - Richard, A. M. PY - 2006 DA - 2006// TI - Future of toxicology - predictive toxicology: an expanded view of 'chemical toxicity' JO - Chem Res Toxicol VL - 19 UR - https://doi.org/10.1021/tx060116u DO - 10.1021/tx060116u ID - Richard2006 ER - TY - JOUR AU - Livingstone, D. PY - 2000 DA - 2000// TI - The characterization of chemical structures using molecular properties: a survey JO - J Chem Inf Model VL - 40 UR - https://doi.org/10.1021/ci990162i DO - 10.1021/ci990162i ID - Livingstone2000 ER - TY - JOUR AU - Warr, W. A. PY - 2009 DA - 2009// TI - Fragment-based drug discovery JO - J Comput Aided Mol Design VL - 23 UR - https://doi.org/10.1007/s10822-009-9292-1 DO - 10.1007/s10822-009-9292-1 ID - Warr2009 ER - TY - JOUR AU - Voorhis, W. C. AU - Hol, W. G. J. AU - Myler, P. J. AU - Stewart, L. J. PY - 2009 DA - 2009// TI - The role of medical structural genomics in discovering new drugs for infectious diseases JO - PLoS Comput Biol VL - 5 UR - https://doi.org/10.1371/journal.pcbi.1000530 DO - 10.1371/journal.pcbi.1000530 ID - Voorhis2009 ER - TY - JOUR AU - Dobson, P. D. AU - Patel, Y. AU - Kell, D. B. PY - 2009 DA - 2009// TI - Metabolite-likeness’ as a criterion in the design and selection of pharmaceutical drug libraries JO - Drug Discov Today VL - 14 UR - https://doi.org/10.1016/j.drudis.2008.10.011 DO - 10.1016/j.drudis.2008.10.011 ID - Dobson2009 ER - TY - JOUR AU - Hancox, J. C. AU - McPate, M. J. AU - Harchi, A. AU - Zhang, Y. PY - 2008 DA - 2008// TI - The hERG potassium channel and hERG screening for drug-induced torsades de pointes JO - Pharmacol Ther VL - 119 UR - https://doi.org/10.1016/j.pharmthera.2008.05.009 DO - 10.1016/j.pharmthera.2008.05.009 ID - Hancox2008 ER - TY - JOUR AU - Gutendorf, B. AU - Westendorf, J. PY - 2001 DA - 2001// TI - Comparison of an array of in vitro assays for the assessment of the estrogenic potential of natural and synthetic estrogens, phytoestrogens and xenoestrogens JO - Toxicology VL - 166 UR - https://doi.org/10.1016/S0300-483X(01)00437-1 DO - 10.1016/S0300-483X(01)00437-1 ID - Gutendorf2001 ER - TY - JOUR AU - Abraham, M. H. AU - Rafols, C. PY - 1995 DA - 1995// TI - Factors that influence tadpole narcosis. an LFER analysis JO - J Chem Soc Perkin Trans VL - 2 UR - https://doi.org/10.1039/p29950001843 DO - 10.1039/p29950001843 ID - Abraham1995 ER - TY - JOUR AU - Williams, E. S. AU - Panko, J. AU - Paustenbach, D. J. PY - 2009 DA - 2009// TI - The European Union’s REACH regulation: a review of its history and requirements JO - Crit Rev Toxicol VL - 39 UR - https://doi.org/10.1080/10408440903036056 DO - 10.1080/10408440903036056 ID - Williams2009 ER - TY - JOUR AU - Aharoni, A. AU - Gaidukov, L. AU - Khersonsky, O. AU - Gould, S. M. AU - Roodveldt, C. AU - Tawfik, D. S. PY - 2004 DA - 2004// TI - The 'evolvability of promiscuous protein functions JO - Nat Genet VL - 37 ID - Aharoni2004 ER - TY - JOUR AU - Hertzberg, R. P. AU - Pope, A. J. PY - 2000 DA - 2000// TI - High-throughput screening: new technology for the 21st century JO - Curr Opin Chem Biol VL - 4 UR - https://doi.org/10.1016/S1367-5931(00)00110-1 DO - 10.1016/S1367-5931(00)00110-1 ID - Hertzberg2000 ER - TY - JOUR AU - Sundberg, S. A. PY - 2000 DA - 2000// TI - High-throughput and ultra-high-throughput screening: solution- and cell-based approaches JO - Curr Opin Biotechnol VL - 11 UR - https://doi.org/10.1016/S0958-1669(99)00051-8 DO - 10.1016/S0958-1669(99)00051-8 ID - Sundberg2000 ER - TY - JOUR AU - Williams, A. J. AU - Tkachenko, V. AU - Lipinski, C. AU - Tropsha, A. AU - Ekins, S. PY - 2009 DA - 2009// TI - Free online resources enabling crowd-sourced drug discovery JO - Drug Discov World VL - 2009 ID - Williams2009 ER - TY - JOUR AU - Rawlins, P. PY - 2010 DA - 2010// TI - Current trends in label-free technologies JO - Drug Discov World VL - 2010 ID - Rawlins2010 ER - TY - JOUR AU - Leeson, P. D. AU - Springthorpe, B. PY - 2007 DA - 2007// TI - The influence of drug-like concepts on decision-making in medicinal chemistry JO - Nat Rev Drug Discov VL - 6 UR - https://doi.org/10.1038/nrd2445 DO - 10.1038/nrd2445 ID - Leeson2007 ER - TY - JOUR AU - Hopkins, A. L. AU - Mason, J. S. AU - Overington, J. P. PY - 2006 DA - 2006// TI - Can we rationally design promiscuous drugs? JO - Curr Opin Struct Biol VL - 16 UR - https://doi.org/10.1016/j.sbi.2006.01.013 DO - 10.1016/j.sbi.2006.01.013 ID - Hopkins2006 ER - TY - JOUR AU - Ekins, S. PY - 2004 DA - 2004// TI - Predicting undesirable drug interactions with promiscuous proteins in silico JO - Drug Discov Today VL - 9 UR - https://doi.org/10.1016/S1359-6446(03)03008-3 DO - 10.1016/S1359-6446(03)03008-3 ID - Ekins2004 ER - TY - STD TI - NCI. AIDS Antiviral Screen. 2010. https://wiki.nci.nih.gov/display/NCIDTPdata/AIDS+Antiviral+Screen+Data. Accessed 21/3/2010. UR - https://wiki.nci.nih.gov/display/NCIDTPdata/AIDS+Antiviral+Screen+Data ID - ref39 ER - TY - STD TI - NCI. NCI-60 Analysis Tools. 2010. http://discover.nci.nih.gov/cellminer. Accessed 21/3/2010. UR - http://discover.nci.nih.gov/cellminer ID - ref40 ER - TY - CHAP AU - Hubbard, R. E. AU - Murray, J. B. ED - Kuo, L. C. PY - 2011 DA - 2011// TI - Experiences in fragment-based lead discovery BT - Methods in enzymology (vol 493): Fragment-based drug design - tools, practical approaches and examples PB - Elsevier CY - Amsterdam UR - https://doi.org/10.1016/B978-0-12-381274-2.00020-0 DO - 10.1016/B978-0-12-381274-2.00020-0 ID - Hubbard2011 ER - TY - JOUR AU - Liszewski, L. PY - 2009 DA - 2009// TI - Capitalising on fragment-based drug discovery JO - Genet Eng News VL - 29 ID - Liszewski2009 ER - TY - JOUR AU - Myrska, D. AU - Paul, J. PY - 2012 DA - 2012// TI - Exploring the horizons of small molecule drug discovery: the evolution and application of the ideal fragment library JO - Drug Discov World VL - Winter ID - Myrska2012 ER - TY - JOUR AU - Turnbull, A. P. AU - Swarbrick, M. E. PY - 2009 DA - 2009// TI - Harnessing fragment-based drug discovery at CRT JO - Drug Discov World VL - 2009 ID - Turnbull2009 ER - TY - JOUR AU - Murray, C. W. AU - Rees, D. C. PY - 2009 DA - 2009// TI - The rise of fragment-based drug discovery JO - Nat Chem VL - 1 UR - https://doi.org/10.1038/nchem.217 DO - 10.1038/nchem.217 ID - Murray2009 ER - TY - CHAP AU - Congreve, M. AU - Rich, R. L. AU - Myszka, D. G. AU - Figaroa, F. AU - Siegal, G. AU - Marshall, F. H. ED - Kuo, L. C. PY - 2011 DA - 2011// TI - Fragment screening of stabilised G-protein-coupled receptors using biophysical methods BT - Methods in enzymology (vol 493): Fragment-based drug design - tools, practical approaches and examples PB - Elsevier CY - Amsterdam ID - Congreve2011 ER - TY - CHAP AU - Giannetti, A. M. ED - Kuo, L. C. PY - 2011 DA - 2011// TI - From experimental design to validated hits: a comprehensive walk-through of fragment lead identification using surface plasmon resonance BT - Methods in enzymology (vol 493): Fragment-based drug design - tools, practical approaches and examples PB - Elsevier CY - Amsterdam UR - https://doi.org/10.1016/B978-0-12-381274-2.00008-X DO - 10.1016/B978-0-12-381274-2.00008-X ID - Giannetti2011 ER - TY - CHAP AU - Spurlino, J. C. ED - Kuo, L. C. PY - 2011 DA - 2011// TI - Fragment screening purely with protein crystallography BT - Methods in enzymology (vol 493): Fragment-based drug design - tools, practical approaches and examples PB - Elsevier CY - Amsterdam UR - https://doi.org/10.1016/B978-0-12-381274-2.00013-3 DO - 10.1016/B978-0-12-381274-2.00013-3 ID - Spurlino2011 ER - TY - JOUR AU - Pérez-Nueno, V. I. AU - Venkatraman, V. AU - Mavridis, L. AU - Ritchie, D. W. PY - 2012 DA - 2012// TI - Detecting drug promiscuity using gaussian ensemble screening JO - J Chem Inf Model VL - 52 UR - https://doi.org/10.1021/ci3000979 DO - 10.1021/ci3000979 ID - Pérez-Nueno2012 ER - TY - JOUR AU - LaBella, F. S. PY - 1991 DA - 1991// TI - Molecular basis for binding promiscuity of antagonist drugs JO - Biochem Pharmacol VL - 42 UR - https://doi.org/10.1016/0006-2952(91)90385-I DO - 10.1016/0006-2952(91)90385-I ID - LaBella1991 ER - TY - JOUR AU - Makowski, L. AU - Rodi, D. J. PY - 2003 DA - 2003// TI - Genome-wide characterization of the binding repertoire of small molecule drugs JO - Hum Genomics VL - 1 UR - https://doi.org/10.1186/1479-7364-1-1-41 DO - 10.1186/1479-7364-1-1-41 ID - Makowski2003 ER - TY - JOUR AU - Bianchi, M. T. PY - 2009 DA - 2009// TI - Promiscuous modulation of ion channels by anti-psychotic and anti-dementia medications JO - Med Hypotheses VL - 74 UR - https://doi.org/10.1016/j.mehy.2009.09.003 DO - 10.1016/j.mehy.2009.09.003 ID - Bianchi2009 ER - TY - JOUR AU - Campillos, M. AU - Kuhn, M. AU - Gavin, A. -. C. AU - Jensen, L. J. AU - Bork, P. PY - 2008 DA - 2008// TI - Drug target identification using side-effect similarity JO - Science VL - 321 UR - https://doi.org/10.1126/science.1158140 DO - 10.1126/science.1158140 ID - Campillos2008 ER - TY - JOUR AU - Houk, K. N. AU - Leach, A. G. AU - Kim, S. P. AU - Zhang, X. PY - 2003 DA - 2003// TI - Binding affinities of host–guest, protein–ligand, and protein–transition-state complexes JO - Angew Chem Int Ed VL - 42 UR - https://doi.org/10.1002/anie.200200565 DO - 10.1002/anie.200200565 ID - Houk2003 ER - TY - JOUR AU - Ma, B. AU - Shatsky, M. AU - Wolfson, H. J. AU - Nussinov, R. PY - 2002 DA - 2002// TI - Multiple diverse ligands binding at a single protein site: A matter of pre-existing populations JO - Protein Sci VL - 11 UR - https://doi.org/10.1110/ps.21302 DO - 10.1110/ps.21302 ID - Ma2002 ER - TY - JOUR AU - Carlson, H. A. PY - 2002 DA - 2002// TI - Protein flexibility and drug design: how to hit a moving target JO - Curr Opin Chem Biol VL - 6 UR - https://doi.org/10.1016/S1367-5931(02)00341-1 DO - 10.1016/S1367-5931(02)00341-1 ID - Carlson2002 ER - TY - JOUR AU - Hammel, M. PY - 2012 DA - 2012// TI - Validation of macromolecular flexibility in solution by small-angle X-ray scattering (SAXS) JO - Eur Biophys J VL - 41 UR - https://doi.org/10.1007/s00249-012-0820-x DO - 10.1007/s00249-012-0820-x ID - Hammel2012 ER - TY - JOUR AU - Mittag, T. AU - Kay, L. E. AU - Forman-Kay, J. D. PY - 2010 DA - 2010// TI - Protein dynamics and conformational disorder in molecular recognition JO - J Mol Recog VL - 23 ID - Mittag2010 ER - TY - JOUR AU - Schultz, J. E. AU - Natarajan, J. PY - 2013 DA - 2013// TI - Regulated unfolding: a basic principle of intraprotein signaling in modular proteins JO - Trends Biochem Sci VL - 38 UR - https://doi.org/10.1016/j.tibs.2013.08.005 DO - 10.1016/j.tibs.2013.08.005 ID - Schultz2013 ER - TY - JOUR AU - Forman-Kay Julie, D. AU - Mittag, T. PY - 2013 DA - 2013// TI - From sequence and forces to structure, function, and evolution of intrinsically disordered proteins JO - Structure VL - 21 UR - https://doi.org/10.1016/j.str.2013.08.001 DO - 10.1016/j.str.2013.08.001 ID - Forman-Kay Julie2013 ER - TY - JOUR AU - Uversky, V. N. PY - 2015 DA - 2015// TI - Proteins without unique 3D structures: Biotechnological applications of intrinsically unstable/disordered proteins JO - Biotechnol J VL - 10 UR - https://doi.org/10.1002/biot.201400374 DO - 10.1002/biot.201400374 ID - Uversky2015 ER - TY - JOUR AU - Bah, A. AU - Vernon, R. M. AU - Siddiqui, Z. AU - Krzeminski, M. AU - Muhandiram, R. AU - Zhao, C. PY - 2015 DA - 2015// TI - Folding of an intrinsically disordered protein by phosphorylation as a regulatory switch JO - Nature VL - 519 UR - https://doi.org/10.1038/nature13999 DO - 10.1038/nature13999 ID - Bah2015 ER - TY - JOUR AU - Wright, P. E. AU - Dyson, H. J. PY - 2009 DA - 2009// TI - Linking folding and binding JO - Curr Opin Struct Biol VL - 19 UR - https://doi.org/10.1016/j.sbi.2008.12.003 DO - 10.1016/j.sbi.2008.12.003 ID - Wright2009 ER - TY - JOUR AU - Uversky, V. N. PY - 2013 DA - 2013// TI - Unusual biophysics of intrinsically disordered proteins JO - Biochim Biophys Acta VL - 1834 UR - https://doi.org/10.1016/j.bbapap.2012.12.008 DO - 10.1016/j.bbapap.2012.12.008 ID - Uversky2013 ER - TY - JOUR AU - Mitrea, D. M. AU - Kriwacki, R. W. PY - 2013 DA - 2013// TI - Regulated unfolding of proteins in signaling JO - FEBS Lett VL - 587 UR - https://doi.org/10.1016/j.febslet.2013.02.024 DO - 10.1016/j.febslet.2013.02.024 ID - Mitrea2013 ER - TY - JOUR AU - Behar, I. AU - Lezon, T. R. AU - Yang, L. -. W. AU - Eyal, E. PY - 2010 DA - 2010// TI - Global dynamics of proteins: Bridging between structure and function JO - Ann Rev Biophys VL - 39 UR - https://doi.org/10.1146/annurev.biophys.093008.131258 DO - 10.1146/annurev.biophys.093008.131258 ID - Behar2010 ER - TY - JOUR AU - Pinkas, D. M. AU - Strop, P. AU - Brunger, A. T. AU - Khosla, C. PY - 2007 DA - 2007// TI - Transglutaminase 2 undergoes a large conformational change upon activation JO - PLoS Biol VL - 5 UR - https://doi.org/10.1371/journal.pbio.0050327 DO - 10.1371/journal.pbio.0050327 ID - Pinkas2007 ER - TY - JOUR AU - Stefl, S. AU - Nishi, H. AU - Petukh, M. AU - Panchenko, A. R. AU - Alexov, E. PY - 2013 DA - 2013// TI - Molecular mechanisms of disease-causing missense mutations JO - J Mol Biol VL - 425 UR - https://doi.org/10.1016/j.jmb.2013.07.014 DO - 10.1016/j.jmb.2013.07.014 ID - Stefl2013 ER - TY - JOUR AU - Shan, Y. AU - Eastwood Michael, P. AU - Zhang, X. AU - Kim Eric, T. AU - Arkhipov, A. AU - Dror Ron, O. PY - 2012 DA - 2012// TI - Oncogenic mutations counteract intrinsic disorder in the EGFR kinase and promote receptor dimerization JO - Cell VL - 149 UR - https://doi.org/10.1016/j.cell.2012.02.063 DO - 10.1016/j.cell.2012.02.063 ID - Shan2012 ER - TY - JOUR AU - Yang, S. AU - Blachowicz, L. AU - Makowski, L. AU - Roux, B. PY - 2010 DA - 2010// TI - Multidomain assembled states of Hck tyrosine kinase in solution JO - Proc Natl Acad Sci VL - 107 UR - https://doi.org/10.1073/pnas.1004569107 DO - 10.1073/pnas.1004569107 ID - Yang2010 ER - TY - JOUR AU - Francis, D. M. AU - Różycki, B. AU - Koveal, D. AU - Hummer, G. AU - Page, R. AU - Peti, W. PY - 2011 DA - 2011// TI - Structural basis of p38α regulation by hematopoietic tyrosine phosphatase JO - Nat Chem Biol VL - 7 UR - https://doi.org/10.1038/nchembio.707 DO - 10.1038/nchembio.707 ID - Francis2011 ER - TY - JOUR AU - Lindorff-Larsen, K. AU - Piana, S. AU - Dror, R. O. AU - Shaw, D. E. PY - 2011 DA - 2011// TI - How fast-folding proteins fold JO - Science VL - 334 UR - https://doi.org/10.1126/science.1208351 DO - 10.1126/science.1208351 ID - Lindorff-Larsen2011 ER - TY - JOUR AU - Nixon, S. L. AU - Cockell, C. S. PY - 2015 DA - 2015// TI - Nonproteinogenic D-amino acids at millimolar concentrations are a toxin for anaerobic microorganisms relevant to early earth and other anoxic planets JO - Astrobiology VL - 15 UR - https://doi.org/10.1089/ast.2014.1252 DO - 10.1089/ast.2014.1252 ID - Nixon2015 ER - TY - JOUR AU - Kasam, V. AU - Salzemann, J. AU - Botha, M. AU - Dacosta, A. AU - Degliesposti, G. AU - Isea, R. PY - 2009 DA - 2009// TI - WISDOM-II: Screening against multiple targets implicated in malaria using computational grid infrastructures JO - Malar J VL - 8 UR - https://doi.org/10.1186/1475-2875-8-88 DO - 10.1186/1475-2875-8-88 ID - Kasam2009 ER - TY - JOUR AU - Baxter, C. A. AU - Murray, C. W. AU - Waszkowycz, B. AU - Li, J. AU - Sykes, R. A. AU - Bone, R. G. A. PY - 2000 DA - 2000// TI - New approach to molecular docking and its application to virtual screening of chemical databases JO - J Chem Inf Comput Sci VL - 40 UR - https://doi.org/10.1021/ci990440d DO - 10.1021/ci990440d ID - Baxter2000 ER - TY - STD TI - Waszkowycz B, Perkins T, Baxter CA, Li J, Liebeschuetz J. Receptor-based Virtual Screening of Very Large Chemical Datasets. 2001. http://acscinf.org/docs/meetings/220nm/presentations/220nm16.pdf. UR - http://acscinf.org/docs/meetings/220nm/presentations/220nm16.pdf ID - ref76 ER - TY - JOUR AU - Klepeis, J. L. AU - Lindorff-Larsen, K. AU - Dror, R. O. AU - Shaw, D. E. PY - 2009 DA - 2009// TI - Long-timescale molecular dynamics simulations of protein structure and function JO - Curr Opin Struct Biol VL - 19 UR - https://doi.org/10.1016/j.sbi.2009.03.004 DO - 10.1016/j.sbi.2009.03.004 ID - Klepeis2009 ER - TY - JOUR AU - Shaw, D. E. AU - Maragakis, P. AU - Lindorff-Larsen, K. AU - Piana, S. AU - Dror, R. O. AU - Eastwood, M. P. PY - 2010 DA - 2010// TI - Atomic-level characterization of the structural dynamics of proteins JO - Science VL - 330 UR - https://doi.org/10.1126/science.1187409 DO - 10.1126/science.1187409 ID - Shaw2010 ER - TY - JOUR AU - Clercq, E. PY - 2005 DA - 2005// TI - Trends in the development of new antiviral agents for the chemotherapy of infections caused by herpesviruses and retroviruses JO - Rev Med Virol VL - 5 UR - https://doi.org/10.1002/rmv.1980050305 DO - 10.1002/rmv.1980050305 ID - Clercq2005 ER - TY - JOUR AU - Jarvis, B. AU - Faulds, D. PY - 1999 DA - 1999// TI - Lamivudine: a review of its therapeutic potential in chronic hepatitis B JO - Drugs VL - 58 UR - https://doi.org/10.2165/00003495-199958010-00015 DO - 10.2165/00003495-199958010-00015 ID - Jarvis1999 ER - TY - JOUR AU - Wanxman, D. J. AU - Strominger, J. L. PY - 1983 DA - 1983// TI - Penicillin-binding proteins and the mechanism of action of beta-lactam antibiotics1 JO - Ann Rev Biochem VL - 52 UR - https://doi.org/10.1146/annurev.bi.52.070183.004141 DO - 10.1146/annurev.bi.52.070183.004141 ID - Wanxman1983 ER - TY - JOUR AU - Entzeroth, M. PY - 2003 DA - 2003// TI - Emerging trends in high-throughput screening JO - Curr Opin Pharmacol VL - 3 UR - https://doi.org/10.1016/S1471-4892(03)00088-2 DO - 10.1016/S1471-4892(03)00088-2 ID - Entzeroth2003 ER - TY - JOUR AU - Oprea, T. I. AU - Marshall, G. R. PY - 1998 DA - 1998// TI - Receptor-based prediction of binding affinities JO - Perspect Drug Discov Des VL - 11 UR - https://doi.org/10.1023/A:1027299602978 DO - 10.1023/A:1027299602978 ID - Oprea1998 ER - TY - JOUR AU - Polley, M. J. AU - Burden, F. R. AU - Winkler, D. A. PY - 2006 DA - 2006// TI - Simulation and modelling of chemical and biological complex systems JO - Aust J Chem VL - 59 UR - https://doi.org/10.1071/CH06375 DO - 10.1071/CH06375 ID - Polley2006 ER - TY - JOUR AU - Keiser, M. J. AU - Setola, V. AU - Irwin, J. J. AU - Laggner, C. AU - Abbas, A. I. AU - Hufeisen, S. J. PY - 2009 DA - 2009// TI - Predicting new molecular targets for known drugs JO - Nature VL - 462 UR - https://doi.org/10.1038/nature08506 DO - 10.1038/nature08506 ID - Keiser2009 ER - TY - JOUR AU - Yamanishi, Y. AU - Pauwels, E. AU - Saigo, H. AU - Stoven, V. PY - 2011 DA - 2011// TI - Extracting sets of chemical substructures and protein domains governing drug-target interactions JO - J Chem Inf Model VL - 51 UR - https://doi.org/10.1021/ci100476q DO - 10.1021/ci100476q ID - Yamanishi2011 ER - TY - JOUR AU - Lu, J. -. J. AU - Pan, W. AU - Hu, Y. -. J. AU - Wang, Y. -. T. PY - 2012 DA - 2012// TI - Multi-target drugs: the trend of drug research and development JO - PLoS ONE VL - 7 UR - https://doi.org/10.1371/journal.pone.0040262 DO - 10.1371/journal.pone.0040262 ID - Lu2012 ER - TY - JOUR AU - Cavalli, A. AU - Bolognesi, M. L. AU - Minarini, A. AU - Rosini, M. AU - Tumiatti, V. AU - Recanatini, M. PY - 2008 DA - 2008// TI - Multi-target-directed ligands to combat neurodegenerative diseases JO - J Med Chem VL - 51 UR - https://doi.org/10.1021/jm7009364 DO - 10.1021/jm7009364 ID - Cavalli2008 ER - TY - JOUR AU - Frantz, S. PY - 2005 DA - 2005// TI - Drug discovery: Playing dirty JO - Nature VL - 437 UR - https://doi.org/10.1038/437942a DO - 10.1038/437942a ID - Frantz2005 ER - TY - JOUR AU - Ohlson, S. PY - 2008 DA - 2008// TI - Designing transient binding drugs: A new concept for drug discovery JO - Drug Discov Today VL - 13 UR - https://doi.org/10.1016/j.drudis.2008.02.001 DO - 10.1016/j.drudis.2008.02.001 ID - Ohlson2008 ER - TY - JOUR AU - Lewis, D. F. V. AU - Dickins, M. PY - 2002 DA - 2002// TI - Substrate SARs in human P450s JO - Drug Discov Today VL - 7 UR - https://doi.org/10.1016/S1359-6446(02)02412-1 DO - 10.1016/S1359-6446(02)02412-1 ID - Lewis2002 ER - TY - JOUR AU - Gottesman, M. M. AU - Fojo, T. AU - Bates, S. E. PY - 2002 DA - 2002// TI - Multidrug resistance in cancer: role of ATP-dependent transporters JO - Nat Rev Cancer VL - 2 UR - https://doi.org/10.1038/nrc706 DO - 10.1038/nrc706 ID - Gottesman2002 ER - TY - JOUR AU - Li, X. -. Z. AU - Nikaido, H. PY - 2004 DA - 2004// TI - Efflux-mediated drug resistance in bacteria JO - Drugs VL - 64 UR - https://doi.org/10.2165/00003495-200464020-00004 DO - 10.2165/00003495-200464020-00004 ID - Li2004 ER - TY - JOUR AU - Pfaller, M. A. PY - 2012 DA - 2012// TI - Antifungal drug resistance: mechanisms, epidemiology, and consequences for treatment JO - Am J Med VL - 125 UR - https://doi.org/10.1016/j.amjmed.2011.11.001 DO - 10.1016/j.amjmed.2011.11.001 ID - Pfaller2012 ER - TY - JOUR AU - Gottesman, M. M. PY - 2002 DA - 2002// TI - Mechanisms of cancer drug resistance JO - Ann Rev Med VL - 53 UR - https://doi.org/10.1146/annurev.med.53.082901.103929 DO - 10.1146/annurev.med.53.082901.103929 ID - Gottesman2002 ER - TY - JOUR AU - Walsh, C. PY - 2000 DA - 2000// TI - Molecular mechanisms that confer antibacterial drug resistance JO - Nature VL - 406 UR - https://doi.org/10.1038/35021219 DO - 10.1038/35021219 ID - Walsh2000 ER - TY - JOUR AU - Proudfoot, J. R. PY - 2002 DA - 2002// TI - Drugs, leads and drug-likeness: an analysis of some recently launched drugs JO - Bioorg Med Chem Lett VL - 12 UR - https://doi.org/10.1016/S0960-894X(02)00244-5 DO - 10.1016/S0960-894X(02)00244-5 ID - Proudfoot2002 ER - TY - JOUR AU - Hann, M. M. AU - Oprea, T. I. PY - 2004 DA - 2004// TI - Pursuing the leadlikeness concept in pharmaceutical research JO - Curr Opin Chem Biol VL - 8 UR - https://doi.org/10.1016/j.cbpa.2004.04.003 DO - 10.1016/j.cbpa.2004.04.003 ID - Hann2004 ER - TY - JOUR AU - Oprea, T. I. AU - Davis, A. M. AU - Teague, S. J. AU - Leeson, P. D. PY - 2001 DA - 2001// TI - Is there a difference between leads and drugs? A historical perspective JO - J Chem Inform Comput Sci VL - 41 UR - https://doi.org/10.1021/ci010366a DO - 10.1021/ci010366a ID - Oprea2001 ER - TY - JOUR AU - Wunberg, T. AU - Hendrix, M. AU - Hillisch, A. AU - Lobell, M. AU - Meier, H. AU - Schmeck, C. PY - 2006 DA - 2006// TI - Improving the hit-to-lead process: data-driven assessment of drug-like and lead-like screening hits JO - Drug Discov Today VL - 11 UR - https://doi.org/10.1016/S1359-6446(05)03700-1 DO - 10.1016/S1359-6446(05)03700-1 ID - Wunberg2006 ER - TY - JOUR AU - Lee, S. K. AU - Chou, H. AU - Ham, T. S. AU - Lee, T. S. AU - Keasling, J. D. PY - 2008 DA - 2008// TI - Metabolic engineering of microorganisms for biofuels production: from bugs to synthetic biology to fuels JO - Curr Opin Biotechnol VL - 19 UR - https://doi.org/10.1016/j.copbio.2008.10.014 DO - 10.1016/j.copbio.2008.10.014 ID - Lee2008 ER - TY - STD TI - Carbonell P, Fichera D, Pandit SB, Faulon J-L. Enumerating metabolic pathways for the production of heterologous target chemicals in chassis organisms. BMC Systems Biology. 2012;6(10). doi:10.1186/752-0509-6-10. ID - ref102 ER - TY - JOUR AU - Deplazes, A. AU - Huppenbauer, M. PY - 2009 DA - 2009// TI - Synthetic organisms and living machines JO - Syst Synth Biol VL - 3 UR - https://doi.org/10.1007/s11693-009-9029-4 DO - 10.1007/s11693-009-9029-4 ID - Deplazes2009 ER - TY - JOUR AU - Aubel, D. AU - Fussenegger, M. PY - 2009 DA - 2009// TI - Mammalian synthetic biology - from tools to therapies JO - BioEssays VL - 32 UR - https://doi.org/10.1002/bies.200900149 DO - 10.1002/bies.200900149 ID - Aubel2009 ER - TY - JOUR AU - Dietz, S. AU - Panke, S. PY - 2009 DA - 2009// TI - Microbial systems engineering: first successes and the way ahead JO - BioEssays VL - 32 UR - https://doi.org/10.1002/bies.200900174 DO - 10.1002/bies.200900174 ID - Dietz2009 ER - TY - STD TI - NCI. NCI Yeast Anticancer Drug Screen. 2013. https://wiki.nci.nih.gov/display/NCIDTPdata/Yeast+Anticancer+Drug+Screen. Accessed 6/2/2013. UR - https://wiki.nci.nih.gov/display/NCIDTPdata/Yeast+Anticancer+Drug+Screen ID - ref106 ER - TY - JOUR AU - Weininger, D. PY - 1988 DA - 1988// TI - SMILES, a chemical language and information system. 1. Introduction to methodology and coding rules JO - J Chem Inform Comput Sci VL - 28 UR - https://doi.org/10.1021/ci00057a005 DO - 10.1021/ci00057a005 ID - Weininger1988 ER - TY - STD TI - QB64. QB64 compiler. 2015. http://www.qb64.net/). Accessed 4/1/2015. UR - http://www.qb64.net/ ID - ref108 ER - TY - JOUR AU - Trott, O. AU - Olson, A. J. PY - 2010 DA - 2010// TI - AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization and multithreading JO - J Comput Chem VL - 31 ID - Trott2010 ER - TY - STD TI - Bains W. What do we think life is? A simple illustration and its consequences. International Journal of Astrobiology. 2013;in press. ID - ref110 ER - TY - STD TI - USGS. USGS acute toxicity database. 2013. http://www.cerc.usgs.gov/data/acute/acute.html. Accessed 12/9/2013. UR - http://www.cerc.usgs.gov/data/acute/acute.html ID - ref111 ER - TY - STD TI - EPA. EPAFHM: EPA Fathead Minnow Acute Toxicity. 2013. http://www.epa.gov/ncct/dsstox/sdf_epafhm.html. Accessed 1/12/2013. UR - http://www.epa.gov/ncct/dsstox/sdf_epafhm.html ID - ref112 ER - TY - BOOK PY - 1996 DA - 1996// TI - The Merck index PB - CRC Press CY - Boca Raton, FL, USA ID - ref113 ER - TY - STD TI - Toxnet. Toxnet database. 2006. http://toxnet.nlm.nih.gov/. Accessed 3/1/2006. UR - http://toxnet.nlm.nih.gov/ ID - ref114 ER - TY - STD TI - EPA. CPDBAS: Carcinogenic Potency Database. 2009. http://www.epa.gov/ncct/dsstox/sdf_cpdbas.html. 11/11/2009. UR - http://www.epa.gov/ncct/dsstox/sdf_cpdbas.html ID - ref115 ER - TY - STD TI - NTP. Drosophila testing program. 2013. http://ntp.niehs.nih.gov/testing/types/genetic/invivo/dl/index.html. Accessed 30/1/2013. UR - http://ntp.niehs.nih.gov/testing/types/genetic/invivo/dl/index.html ID - ref116 ER - TY - STD TI - Regional IPM Centers. OPP Pesticide Ecotoxicity Database. 2013. http://www.ipmcenters.org/Ecotox/DataAccess.cfm Accessed 22/11/2013. UR - http://www.ipmcenters.org/Ecotox/DataAccess.cfm ID - ref117 ER - TY - JOUR AU - Larson, J. H. AU - Frost, P. C. AU - Lamberti, G. A. PY - 2008 DA - 2008// TI - Variable toxicity of ionic liquid-forming chemicals to Lemna minor and the influence of dissolved organic matter JO - Environ Toxicol Chem VL - 27 UR - https://doi.org/10.1897/06-540.1 DO - 10.1897/06-540.1 ID - Larson2008 ER - TY - JOUR AU - Blackman, G. E. AU - Parke, M. H. AU - Garton, G. PY - 1955 DA - 1955// TI - The physiological activity of substituted phenols. I. Relationships between chemical structure and physiological activity JO - Arch Biochem Biophys VL - 54 UR - https://doi.org/10.1016/0003-9861(55)90007-2 DO - 10.1016/0003-9861(55)90007-2 ID - Blackman1955 ER - TY - JOUR AU - Wang, W. PY - 1990 DA - 1990// TI - Literature review on duckweed toxicity testing JO - Environ Res VL - 52 UR - https://doi.org/10.1016/S0013-9351(05)80147-1 DO - 10.1016/S0013-9351(05)80147-1 ID - Wang1990 ER - TY - JOUR AU - Cowgill, U. M. AU - Milazzo, D. P. AU - Landenberger, B. D. PY - 1991 DA - 1991// TI - The sensitivity of Lemna gibba G-3 and four clones of lemna minor to eight common chemicals using a 7-day test JO - Res J Water Pollut Fed VL - 63 ID - Cowgill1991 ER - TY - JOUR AU - Tong, Z. AU - Hongjun, J. PY - 1997 DA - 1997// TI - Use of Duckweed (Lemna minor L.) growth inhibition test to evaluate the toxicity of acrylonitrile, sulphocyanic sodium and acetonitrile in China JO - Environ Pollut VL - 98 UR - https://doi.org/10.1016/S0269-7491(97)00156-5 DO - 10.1016/S0269-7491(97)00156-5 ID - Tong1997 ER - TY - JOUR AU - Hanson, M. L. AU - Solomon, K. R. PY - 2004 DA - 2004// TI - Haloacetic acids in the aquatic environment. Part I: macrophyte toxicity JO - Environ Pollut VL - 130 UR - https://doi.org/10.1016/j.envpol.2003.12.016 DO - 10.1016/j.envpol.2003.12.016 ID - Hanson2004 ER - TY - JOUR AU - Brain, R. A. AU - Johnson, D. J. AU - Richards, S. M. AU - Sanderson, H. AU - Sibley, P. K. AU - Solomon, K. R. PY - 2004 DA - 2004// TI - Effects of 25 pharmaceutical compounds to Lemna gibba using a seven-day static-renewal test JO - Environ Toxicol Chem VL - 23 UR - https://doi.org/10.1897/02-576 DO - 10.1897/02-576 ID - Brain2004 ER - TY - JOUR AU - Sharma, H. A. AU - Barber, J. T. AU - Ensley, H. E. AU - Polito, M. A. PY - 1997 DA - 1997// TI - A comparison of the toxicity and metabolism of phenol and chlorinated phenols by Lemna gibba, with special reference to 2,4,5-trichlorophenol JO - Environ Toxicol Chem VL - 16 UR - https://doi.org/10.1002/etc.5620160233 DO - 10.1002/etc.5620160233 ID - Sharma1997 ER - TY - JOUR AU - Pillard, D. A. AU - DuFresne, D. L. PY - 1999 DA - 1999// TI - Toxicity of formulated glycol deicers and ethylene and propylene glycol to lactuca sativa, Lolium perenne, Selenastrum capricornutum, and Lemna minor JO - Arch Environ Contam Toxicol VL - 37 UR - https://doi.org/10.1007/s002449900486 DO - 10.1007/s002449900486 ID - Pillard1999 ER - TY - JOUR AU - Ramirez Toro, G. I. AU - Leather, G. R. AU - Einhellig, F. A. PY - 1988 DA - 1988// TI - Effects of three phenolic compounds onLemna gibba G3 JO - J Chem Ecol VL - 14 UR - https://doi.org/10.1007/BF01018778 DO - 10.1007/BF01018778 ID - Ramirez Toro1988 ER - TY - JOUR AU - Kirby, M. F. AU - Sheahan, D. A. PY - 1994 DA - 1994// TI - Effects of atrazine, isoproturon, and mecoprop on the macrophyte Lemna minor and the alga Scenedesmus subspicatus JO - Bull Environ Contam Toxicol VL - 53 UR - https://doi.org/10.1007/BF00205148 DO - 10.1007/BF00205148 ID - Kirby1994 ER - TY - JOUR AU - Plassche, E. J. AU - Bruijn, J. H. M. AU - Stephenson, R. R. AU - Marshall, S. J. AU - Feijtel, T. C. J. AU - Belanger, S. E. PY - 1999 DA - 1999// TI - Predicted no-effect concentrations and risk characterization of four surfactants: Linear alkyl benzene sulfonate, alcohol ethoxylates, alcohol ethoxylated sulfates, and soap JO - Environ Toxicol Chem VL - 18 UR - https://doi.org/10.1002/etc.5620181135 DO - 10.1002/etc.5620181135 ID - Plassche1999 ER - TY - JOUR AU - Boudreau, T. M. AU - Sibley, P. K. AU - Mabury, S. A. AU - Muir, D. G. C. AU - Solomon, K. R. PY - 2003 DA - 2003// TI - Laboratory Evaluation of the Toxicity of Perfluorooctane Sulfonate (PFOS) on Selenastrum capricornutum, Chlorella vulgaris, Lemna gibba, Daphnia magna, and Daphnia pulicaria JO - Arch Environ Contam Toxicol VL - 44 UR - https://doi.org/10.1007/s00244-002-2102-6 DO - 10.1007/s00244-002-2102-6 ID - Boudreau2003 ER - TY - JOUR AU - Qi, P. AU - Wang, Y. AU - Mu, J. AU - Wang, J. PY - 2011 DA - 2011// TI - Aquatic predicted no-effect-concentration derivation for perfluorooctane sulfonic acid JO - Environ Toxicol Chem VL - 30 UR - https://doi.org/10.1002/etc.460 DO - 10.1002/etc.460 ID - Qi2011 ER - TY - JOUR AU - McConkey, B. J. AU - Duxbury, C. L. AU - Dixon, D. G. AU - Greenberg, B. M. PY - 1997 DA - 1997// TI - Toxicity of a pah photooxidation product to the bacteria Photobacterium phosphoreum and the duckweed Lemna gibba: Effects of phenanthrene and its primary photoproduct, phenanthrenequinone JO - Environ Toxicol Chem VL - 16 UR - https://doi.org/10.1002/etc.5620160508 DO - 10.1002/etc.5620160508 ID - McConkey1997 ER - TY - JOUR AU - Xu, Y. AU - Lay, J. P. AU - Korte, F. PY - 1988 DA - 1988// TI - Fate and effects of xanthates in laboratory freshwater systems JO - Bull Environ Contam Toxicol VL - 41 UR - https://doi.org/10.1007/BF02021019 DO - 10.1007/BF02021019 ID - Xu1988 ER - TY - JOUR AU - Brain, R. A. AU - Johnson, D. J. AU - Richards, S. M. AU - Hanson, M. L. AU - Sanderson, H. AU - Lam, M. W. PY - 2004 DA - 2004// TI - Microcosm evaluation of the effects of an eight pharmaceutical mixture to the aquatic macrophytes Lemna gibba and Myriophyllum sibiricum JO - Aquat Toxicol VL - 70 UR - https://doi.org/10.1016/j.aquatox.2004.06.011 DO - 10.1016/j.aquatox.2004.06.011 ID - Brain2004 ER - TY - JOUR AU - Berends, A. G. AU - Boutonnet, J. C. AU - Rooij, C. G. D. AU - Thompson, R. S. PY - 1999 DA - 1999// TI - Toxicity of trifluoroacetate to aquatic organisms JO - Environ Toxicol Chem VL - 18 UR - https://doi.org/10.1002/etc.5620180533 DO - 10.1002/etc.5620180533 ID - Berends1999 ER - TY - JOUR AU - Caux, P. Y. AU - Weinberger, P. AU - Carlisle, D. B. PY - 1988 DA - 1988// TI - A physiological study of the effects of triton surfactants on Lemna minor L JO - Environ Toxicol Chem VL - 7 UR - https://doi.org/10.1002/etc.5620070808 DO - 10.1002/etc.5620070808 ID - Caux1988 ER - TY - JOUR AU - Schultz, T. W. PY - 1999 DA - 1999// TI - Structure−toxicity relationships for benzenes evaluated with tetrahymena pyriformis JO - Chem Res Toxicol VL - 12 UR - https://doi.org/10.1021/tx9900730 DO - 10.1021/tx9900730 ID - Schultz1999 ER - TY - JOUR AU - Schultz, T. W. AU - Netzeva, T. I. AU - Roberts, D. W. AU - Cronin, M. T. D. PY - 2005 DA - 2005// TI - Structure−toxicity relationships for the effects to tetrahymena pyriformis of aliphatic, carbonyl-containing, α, β-unsaturated chemicals JO - Chem Res Toxicol VL - 18 UR - https://doi.org/10.1021/tx049833j DO - 10.1021/tx049833j ID - Schultz2005 ER - TY - JOUR AU - Schultz, T. W. AU - Cronin, M. T. D. AU - Netzeva, T. I. AU - Aptula, A. O. PY - 2002 DA - 2002// TI - Structure−toxicity relationships for aliphatic chemicals evaluated with tetrahymena pyriformis JO - Chem Res Toxicol VL - 15 UR - https://doi.org/10.1021/tx025589p DO - 10.1021/tx025589p ID - Schultz2002 ER - TY - JOUR AU - Akers, K. S. AU - Sinks, G. D. AU - Schultz, T. W. PY - 1999 DA - 1999// TI - Structure–toxicity relationships for selected halogenated aliphatic chemicals JO - Environ Toxicol Pharmacol VL - 7 UR - https://doi.org/10.1016/S1382-6689(98)00048-9 DO - 10.1016/S1382-6689(98)00048-9 ID - Akers1999 ER - TY - JOUR AU - Cronin, M. T. D. AU - Netzeva, T. I. AU - Dearden, J. C. AU - Edwards, R. AU - Worgan, A. D. P. PY - 2004 DA - 2004// TI - Assessment and modeling of the toxicity of organic chemicals to chlorella vulgaris: development of a novel database JO - Chem Res Tox VL - 17 UR - https://doi.org/10.1021/tx0342518 DO - 10.1021/tx0342518 ID - Cronin2004 ER - TY - JOUR AU - Yan, X. -. F. AU - Xiao, H. -. M. AU - Gong, X. -. D. AU - Ju, X. -. H. PY - 2005 DA - 2005// TI - Quantitative structure–activity relationships of nitroaromatics toxicity to the algae (Scenedesmus obliguus) JO - Chemosphere VL - 59 UR - https://doi.org/10.1016/j.chemosphere.2005.01.085 DO - 10.1016/j.chemosphere.2005.01.085 ID - Yan2005 ER - TY - JOUR AU - Saçan, M. T. AU - Özkul, M. AU - Erdem, S. S. PY - 2007 DA - 2007// TI - QSPR analysis of the toxicity of aromatic compounds to the algae (Scenedesmus obliquus) JO - Chemosphere VL - 68 UR - https://doi.org/10.1016/j.chemosphere.2007.01.043 DO - 10.1016/j.chemosphere.2007.01.043 ID - Saçan2007 ER - TY - JOUR AU - Wang, C. AU - Lu, G. AU - Tang, Z. AU - Guo, X. PY - 2008 DA - 2008// TI - Quantitative structure-activity relationships for joint toxicity of substituted phenols and anilines to Scenedesmus obliquus JO - J Environ Sci VL - 20 UR - https://doi.org/10.1016/S1001-0742(08)60018-2 DO - 10.1016/S1001-0742(08)60018-2 ID - Wang2008 ER - TY - JOUR AU - Lu, G. -. H. AU - Yuan, X. AU - Zhao, Y. -. H. PY - 2001 DA - 2001// TI - QSAR study on the toxicity of substituted benzenes to the algae (Scenedesmus obliquus) JO - Chemosphere VL - 44 UR - https://doi.org/10.1016/S0045-6535(00)00214-9 DO - 10.1016/S0045-6535(00)00214-9 ID - Lu2001 ER - TY - JOUR AU - Ma, J. AU - Zheng, R. AU - Xu, L. AU - Wang, S. PY - 2002 DA - 2002// TI - Differential sensitivity of two green algae, scenedesmus obliqnus and chlorella pyrenoidosa, to 12 pesticides JO - Ecotoxicol Environ Saf VL - 52 UR - https://doi.org/10.1006/eesa.2002.2146 DO - 10.1006/eesa.2002.2146 ID - Ma2002 ER - TY - JOUR AU - Tadros, M. G. AU - Philips, J. AU - Patel, H. AU - Pandiripally, V. PY - 1994 DA - 1994// TI - Differential response of green algal species to solvents JO - Bull Environ Contam Toxicol VL - 52 UR - https://doi.org/10.1007/BF00197817 DO - 10.1007/BF00197817 ID - Tadros1994 ER - TY - JOUR AU - Zhang, W. AU - Zhang, M. AU - Lin, K. AU - Sun, W. AU - Xiong, B. AU - Guo, M. PY - 2012 DA - 2012// TI - Eco-toxicological effect of Carbamazepine on Scenedesmus obliquus and Chlorella pyrenoidosa JO - Environ Toxicol Pharmacol VL - 33 UR - https://doi.org/10.1016/j.etap.2011.12.024 DO - 10.1016/j.etap.2011.12.024 ID - Zhang2012 ER - TY - JOUR AU - Ma, J. AU - Lu, N. AU - Qin, W. AU - Xu, R. AU - Wang, Y. AU - Chen, X. PY - 2006 DA - 2006// TI - Differential responses of eight cyanobacterial and green algal species, to carbamate insecticides JO - Ecotoxicol Environ Saf VL - 63 UR - https://doi.org/10.1016/j.ecoenv.2004.12.002 DO - 10.1016/j.ecoenv.2004.12.002 ID - Ma2006 ER - TY - JOUR AU - Ma, J. PY - 2005 DA - 2005// TI - Differential sensitivity of three cyanobacterial and five green algal species to organotins and pyrethroids pesticides JO - Sci Total Environ VL - 341 UR - https://doi.org/10.1016/j.scitotenv.2004.09.028 DO - 10.1016/j.scitotenv.2004.09.028 ID - Ma2005 ER - TY - JOUR AU - Ma, J. AU - Wang, P. AU - Chen, J. AU - Sun, Y. AU - Che, J. PY - 2007 DA - 2007// TI - Differential response of green algal species Pseudokirchneriella subcapitata, Scenedesmus quadricauda, Scenedesmus obliquus, Chlorella vulgaris and Chlorella pyrenoidosa to six pesticides JO - Pol J Environ Stud VL - 16 ID - Ma2007 ER - TY - JOUR AU - Kulacki, K. J. AU - Lamberti, G. A. PY - 2008 DA - 2008// TI - Toxicity of imidazolium ionic liquids to freshwater algae JO - Green Chem VL - 10 UR - https://doi.org/10.1039/B709289J DO - 10.1039/B709289J ID - Kulacki2008 ER - TY - JOUR AU - Geoffroy, L. AU - Teisseire, H. AU - Couderchet, M. AU - Vernet, G. PY - 2002 DA - 2002// TI - Effect of oxyfluorfen and diuron alone and in mixture on antioxidative enzymes of Scenedesmus obliquus JO - Pestic Biochem Physiol VL - 72 UR - https://doi.org/10.1016/S0048-3575(02)00009-3 DO - 10.1016/S0048-3575(02)00009-3 ID - Geoffroy2002 ER - TY - JOUR AU - Li, X. AU - Ping, X. AU - Xiumei, S. AU - Zhenbin, W. AU - Liqiang, X. PY - 2005 DA - 2005// TI - Toxicity of cypermethrin on growth, pigments, and superoxide dismutase of Scenedesmus obliquus JO - Ecotoxicol Environ Saf VL - 60 UR - https://doi.org/10.1016/j.ecoenv.2004.01.012 DO - 10.1016/j.ecoenv.2004.01.012 ID - Li2005 ER - TY - STD TI - EPA. NCTRER: FDA National Center for Toxicological Research Estrogen Receptor Binding Database File. 2013. http://www.epa.gov/ncct/dsstox/sdf_nctrer.html. Accessed 11/2/2013. UR - http://www.epa.gov/ncct/dsstox/sdf_nctrer.html ID - ref155 ER - TY - JOUR AU - Garg, R. AU - Kurup, A. AU - Mekapati, S. B. AU - Hansch, C. PY - 2003 DA - 2003// TI - Cyclooxygenase (COX) inhibitors: a comparative QSAR study JO - Chem Rev VL - 103 UR - https://doi.org/10.1021/cr020464a DO - 10.1021/cr020464a ID - Garg2003 ER - TY - JOUR AU - Anthes, J. C. AU - Gilchrest, H. AU - Richard, C. AU - Eckel, S. AU - Hesk, D. AU - West, R. E. J. PY - 2002 DA - 2002// TI - Biochemical characterization of desloratadine, a potent antagonist of the human histamine H1 receptor JO - Eur J Pharmacol VL - 449 UR - https://doi.org/10.1016/S0014-2999(02)02049-6 DO - 10.1016/S0014-2999(02)02049-6 ID - Anthes2002 ER - TY - JOUR AU - Kubo, N. AU - Shirakawa, O. AU - Kuno, T. AU - Tanaka, C. PY - 1987 DA - 1987// TI - Antimuscarinic effects of antihistamines: Quantitative evaluation by receptor-binding assay JO - Japan J Pharmacol VL - 43 UR - https://doi.org/10.1254/jjp.43.277 DO - 10.1254/jjp.43.277 ID - Kubo1987 ER - TY - JOUR AU - Jongejan, A. AU - Leurs, R. PY - 2005 DA - 2005// TI - Delineation of receptor-ligand interactions at the human histamine H1 receptor by a combined approach of site-directed mutagenesis and computational techniques or how to bind the H1 receptor JO - Arch Pharm Chem Life Sci VL - 338 UR - https://doi.org/10.1002/ardp.200400998 DO - 10.1002/ardp.200400998 ID - Jongejan2005 ER -