Optimization of model parameters for describing the amide i spectrum of a large set of proteins

Journal of Physical Chemistry B

Volumn 116, Issue 16, 2012, Pages 4831-4842

  Karjalainen, Eeva Liisa ^a   Ersmark, Tore ^a   Barth, Andreas ^a  

^a STOCKHOLM UNIVERSITY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

AMIDES; HYDROGEN BONDS; OPTIMIZATION; PROTEINS;

AMIDE I; EXPERIMENTAL SPECTRA; INFRARED SPECTRUM; INTRINSIC FREQUENCY; MODEL PARAMETERS; NEAREST-NEIGHBOR COUPLING; OPTIMIZED PARAMETER; PROTEIN SPECTRA; SECONDARY STRUCTURES; SIMULATED SPECTRA; SIMULATION PROTOCOLS; STRUCTURAL VARIATIONS; TRANSITION DIPOLE COUPLING;

COMPUTER SIMULATION;

AMIDE; PROTEIN;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; INFRARED SPECTROSCOPY;

AMIDES; MODELS, MOLECULAR; PROTEINS; SPECTROSCOPY, FOURIER TRANSFORM INFRARED;

EID: 84860285820     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp301095v     Document Type: Article

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