Flexible docking simulations: Scaled collective variable Monte Carlo minimization approach using bezier splines, and comparison with a standard Monte Carlo algorithm

Journal of Computational Chemistry

Volumn 20, Issue 2, 1999, Pages 244-252

  Trosset, Jean Yves ^a   Scheraga, Harold A ^a  

^a Department of Obstetrics Gynecology   (United States)

Author keywords

Active site of thrombin; ECEPP 3 based algorithm; Flexible ligand; Flexible or rigid receptor; Grid based energy calculation; Tripeptide ligand

Indexed keywords

EID: 0001336998     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-987X(19990130)20:2<244::AID-JCC6>3.0.CO;2-A     Document Type: Article

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