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The program UCSF DOCK was created in the 1980s by Irwin "Tack" Kuntz's Group, and was the first docking program. DOCK uses geometric algorithms to predict the binding modes of small molecules. Brian K. Shoichet, David A. Case, and Robert C.Rizzo are co-developers of the DOCK program. Two versions of the docking program are actively developed DOCK 6 and DOCK 3. Ligand sampling methods used by the program DOCK include. * Rigid docking: shape matching, uses spheres placed in the pocket and performs bipartite matching between those spheres and the molecule (all versions). * Flexible ligand is accounted for using the following methods: an algorithm called anchor and grow (v4-v6),〔 and hierarchical docking of databases (v3.5-3.7). A molecular dynamics engine was implemented into DOCK v6 by David A. Case's Group in the scoring function amber score. This capability accounts for receptor flexibility and allows for rank ordering by energetic ensembles in the docking calculations.〔 == See also == * AutoDock * Molecular modeling * List of software for molecular mechanics modeling 抄文引用元・出典: フリー百科事典『 ウィキペディア（Wikipedia）』 ■ウィキペディアで「DOCK」の詳細全文を読む スポンサード リンク
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