Evaluation and reparametrization of the OPLS-AA force field for proteins via comparison with accurate quantum chemical calculations on peptides

Journal of Physical Chemistry B

Volumn 105, Issue 28, 2001, Pages 6474-6487

  Kaminski, George A ^a   Friesner, Richard A ^a   Tirado Rives, Julian ^b   Jorgensen, William L ^b  

^a Och Spine at New York Presbyterian Hospitals   (United States)

^b YALE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

FOURIER TORSIONAL COEFFICIENTS;

AMINO ACIDS; POLYPEPTIDES; POTENTIAL ENERGY; QUANTUM THEORY; VAN DER WAALS FORCES;

PROTEINS;

EID: 0035913529     PISSN: 10895647     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp003919d     Document Type: Article

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