Empirical maps for the calculation of amide I vibrational spectra of proteins from classical molecular dynamics simulations

Journal of Physical Chemistry B

Volumn 118, Issue 28, 2014, Pages 7848-7855

  Małolepsza, Edyta ^a   Straub, John E ^a  

^a USA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMIDES; ELECTRIC FIELDS; MOLECULAR DYNAMICS; PEPTIDES; VAN DER WAALS FORCES;

CLASSICAL MOLECULAR DYNAMICS; EMPIRICAL FORCE FIELDS; MOLECULAR SIMULATIONS; PARAMETRIZATIONS; PEPTIDE BONDS; SECONDARY STRUCTURES; SURROUNDING ENVIRONMENT; VIBRATIONAL EXCITONS;

VIBRATIONAL SPECTRA;

AMIDE; PROTEIN;

CHEMISTRY; MOLECULAR DYNAMICS; PROCEDURES; SPECTROSCOPY;

AMIDES; MOLECULAR DYNAMICS SIMULATION; PROTEINS; SPECTRUM ANALYSIS;

EID: 84904575752     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp412827s     Document Type: Article

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