3D‐QSAR, molecular docking, and ONIOM studies on the structure–activity relationships and action mechanism of nitrogen‐containing bisphosphonates - Liu, Qing‐Zhu; Wang, Shan‐Shan; Li, Xi; Zhao, Xue‐Yu; Li, Ke; Lv, Gao‐Chao; Qiu, Ling; Lin, Jian‐Guo (Chemical biology & drug design, 2018)
Keywords: Diphosphonates - chemistry; Enzyme Inhibitors - chemistry; farnesyl pyrophosphate synthase; Geranyltranstransferase - antagonists & inhibitors; Geranyltranstransferase - chemistry; Humans; Hydrogen Bonding; molecular docking; Molecular Docking Simulation; nitrogen‐containing bisphosphonates; ONIOM; Structure-Activity Relationship; three‐dimensional quantitative structure–activity relationship; nitrogen-containing bisphosphonates; farnesyl pyrophosphate synthase; three-dimensional quantitative structure-activity relationship; molecular docking; ONIOM