Conformational searching methods for small molecules. III. Study of stochastic methods available in SYBYL and MACROMODEL

Journal of Computational Chemistry

Volumn 17, Issue 9, 1996, Pages 1171-1182

  Treasurywala, A M ^a,b   Jaeger, E P ^a   Peterson, M L ^a  

^a Sanofi Winthrop Inc   (United States)

^b NPS Pharmaceutical Inc   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001667654     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-987X(19960715)17:9<1171::AID-JCC10>3.0.CO;2-A     Document Type: Article

References (14)

1. A. R. Leach, A survey of methods for searching the conformational space of small and medium-sized molecules, In Reviews in Computational Chemistry, vol. II, K. B. Lipkowitz and D. B. Boyd, Eds., VCH, New York, 1991, pp. 1-55.
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14. Unfortunately, a validation of the MACROMODEL force field used here with this standard set of molecules could not be found.