Skip to main content
Fig. 2 | BMC Systems Biology

Fig. 2

From: Receptor-guided 3D-QSAR studies, molecular dynamics simulation and free energy calculations of Btk kinase inhibitors

Fig. 2

COMSIA StDev*Coeff contour maps. a steric contour map (green: favored; yellow: disfavored); b electrostatic contour map (Blue: favors electropositive substituent; red: favors electronegative substituent); c hydrophobic contour map (Cyan: favored; violet: disfavored); d H-bond acceptor map (Magenta: favored; grey: disfavored). e H-bond donor map (Orange: favored; purple: disfavored). Compound 26 is shown as ball and stick model inside the active site of Btk kinase

Back to article page