Spectroscopic polarizable force field for amide groups in polypeptides

Journal of Physical Chemistry B

Volumn 114, Issue 19, 2010, Pages 6740-6750

  Schropp, Bernhard ^a   Wichmann, Christoph ^a   Tavan, Paul ^a  

^a UNIVERSITY OF MUNICH   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; ELECTRIC FIELDS; INFRARED SPECTROSCOPY; MOLECULAR DYNAMICS; POLYPEPTIDES;

AMIDE GROUPS; BAND SHAPES; COUPLED VIBRATIONS; EXTERNAL ELECTRIC FIELD; EXTERNAL FIELDS; FIELD DEPENDENCE; FORCE CONSTANTS; FORCE FIELD PARAMETERS; FORCE FIELDS; INFRARED SPECTRUM; INTERNAL COORDINATES; MOLECULAR DYNAMICS SIMULATIONS; NORMAL MODES; POLARIZABLE FORCE FIELD; POLARIZABLE MOLECULAR MECHANICS; POLYPEPTIDE BACKBONES; WIDE SPECTRAL RANGE;

AMIDES;

EID: 77952470260     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp101358r     Document Type: Article

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