Potential energy functions: From consistent force fields to spectroscopically determined polarizable force fields

Biopolymers

Volumn 68, Issue 3, 2003, Pages 383-394

  Palmo, Kim ^a   Mannfors, Berit ^a   Mirkin, Noemi G ^a   Krimm, Samuel ^a  

^a UNIVERSITY OF MICHIGAN   (United States)

Author keywords

Amide NH out of plane bend; Charge fluxes; Ir intensities; Molecular mechanics energy function; N methylacetamide; Peptide torsion; Polarizability; Vibrational frequencies

Indexed keywords

FUNCTIONS; OPTIMIZATION; POTENTIAL ENERGY; SPECTROSCOPIC ANALYSIS;

POTENTIAL ENERGY FUNCTIONS;

PROTEINS;

AB INITIO CALCULATION; ACCURACY; CONFERENCE PAPER; ENERGY; FORCE; MOLECULAR DYNAMICS; POLARIZATION; SPECTROSCOPY;

ACETAMIDES; CHEMISTRY, PHYSICAL; MODELS, MOLECULAR; PEPTIDES; SPECTROPHOTOMETRY, INFRARED; VIBRATION;

EID: 0037345158     PISSN: 00063525     EISSN: None     Source Type: Journal    
DOI: 10.1002/bip.10254     Document Type: Conference Paper

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