The rote of weakly polar and H-bonding interactions in the stabilization of the conformers of FGG, WGG, and YGG: An aqueous phase computational study

Biopolymers

Volumn 89, Issue 11, 2008, Pages 1002-1011

  Csontos, József ^a   Murphy, Richard F ^a   Lovas, Sándor ^a  

^a CREIGHTON UNIVERSITY MEDICAL CENTER   (United States)

Author keywords

DFT; Interaction energies; Peptides; Quantum chemical calculations; Weakly polar interactions

Indexed keywords

AMINES; ANNEALING; DENSITY FUNCTIONAL THEORY; DYNAMICS; MOLECULAR DYNAMICS; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; PROBABILITY DENSITY FUNCTION; QUANTUM CHEMISTRY; SIMULATED ANNEALING; STABILIZATION;

AQUEOUS PHASES; BONDING INTERACTIONS; COMPUTATIONAL STUDIES; DENSITY FUNCTIONAL THEORY METHODS; DFT; INTERACTION ENERGIES; INTRAMOLECULAR INTERACTIONS; POLAR INTERACTIONS; PROTEIN STRUCTURES; QUANTUM CHEMICAL CALCULATIONS; STABILIZATION ENERGIES; WEAKLY POLAR INTERACTIONS;

FLOW INTERACTIONS;

N ACETYLPHENYLGLYCYLGLYCYL N METHYLACETAMIDE; N ACETYLTRYPTOPHYLGLYCYLGLYCYL N METHYLACETAMIDE; N ACETYLTYROSYLGLYCYLGLYCYL N METHYL ACETAMIDE; TRIPEPTIDE; UNCLASSIFIED DRUG; OLIGOPEPTIDE; PHENYLALANYL GLUTAMYL GLYCINE; PHENYLALANYL-GLUTAMYL-GLYCINE;

ARTICLE; CONTROLLED STUDY; DENSITY FUNCTIONAL THEORY; HYDROGEN BOND; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; PROTEIN CONFORMATION; PROTEIN FUNCTION; PROTEIN STABILITY; PROTEIN STRUCTURE; QUANTUM CHEMISTRY; CHEMICAL STRUCTURE; CHEMISTRY; PROTEIN SECONDARY STRUCTURE; STRUCTURE ACTIVITY RELATION;

HYDROGEN BONDING; MODELS, MOLECULAR; OLIGOPEPTIDES; PROTEIN STRUCTURE, SECONDARY; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 54949150581     PISSN: 00063525     EISSN: 10970282     Source Type: Journal    
DOI: 10.1002/bip.21049     Document Type: Article

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