期刊
FRONTIERS IN BIOSCIENCE-LANDMARK
卷 16, 期 -, 页码 2289-2306出版社
FRONTIERS IN BIOSCIENCE INC
DOI: 10.2741/3854
关键词
Docking; structure-based drug design; receptor; ligand docking; protein docking; ensemble docking; receptor flexibility; cross docking; MRC; scoring function; consensus scoring; review
Ligand-docking is an established computational technique universally applied in structure-based drug design. Since the first attempts carried out in the early '80s to predict the three-dimensional conformation of a protein-ligand bound complex, this methodology has evolved constantly and it is presently implemented in many different ways. The present study aims at explaining the standard protein-ligand docking protocol, together with its main advantages and drawbacks. Milestone reports and future directions are reported and discussed as well.
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