Automated docking of flexible ligands: Applications of autodock 论文
1996Journal of Molecular Recognition引用 1590
Computational Drug Discovery MethodsProtein Structure and DynamicsMachine Learning in Materials Science
详细信息
- 发表期刊/会议
- Journal of Molecular Recognition
- 发表日期
- 1996-01-01
- 发表年份
- 1996
关键词
Computational Drug Discovery MethodsProtein Structure and DynamicsMachine Learning in Materials Science
摘要
AutoDock is a suite of C programs used to predict the bound conformations of a small, flexible ligand to a macromolecular target of known structure. The technique combines simulated annealing for conformation searching with a rapid grid-based method of energy evaluation. This paper reviews recent applications of the technique and describes the enhancements included in the current release.