Low-mode gonformational search elucidated: Application to C39H80 and flexible docking of 9-deazaguanine inhibitors into PNP

Journal of Computational Chemistry

Volumn 20, Issue 15, 1999, Pages 1671-1684

  Kolossváry, István ^a   Guida, Wayne C ^a,b,c  

^a NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH   (United States)

^b SCHRÖDINGER INC   (United States)

^c ECKERD COLLEGE   (United States)

Author keywords

Conformational analysis; Flexible docking; Low mode search; Mode following; Saddle point search

Indexed keywords

EID: 0000147236     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-987X(19991130)20:15<1671::AID-JCC7>3.3.CO;2-P     Document Type: Article

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