Conformational dynamics of trialanine in water. 2. Comparison of AMBER, CHARMM, GROMOS, and OPLS force fields to NMR and infrared experiments

Journal of Physical Chemistry B

Volumn 107, Issue 21, 2003, Pages 5064-5073

  Mu, Yuguang ^a   Kosov, Daniil S ^a   Stock, Gerhard ^a  

^a GOETHE UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; CONFORMATIONS; INFRARED SPECTROSCOPY; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; POLYPEPTIDES; PROBABILITY DENSITY FUNCTION; WATER;

CONFORMATIONAL DYNAMICS; DENSITY FUNCTIONAL THEORY; TRIALANINE;

ORGANIC COMPOUNDS;

EID: 0038241788     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp022445a     Document Type: Article

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