Inter- and intramolecular potential for the N-formylglycinamide-water system. A comparison between theoretical modeling and empirical force fields

Journal of Computational Chemistry

Volumn 24, Issue 2, 2003, Pages 161-176

  Hermida Ramón, Jose Manuel ^a   Brdarski, Steve ^a   Karlström, Gunnar ^a   Berg, Ulf ^a  

^a LUND UNIVERSITY   (Sweden)

Author keywords

Charge transferability; Conformational equilibrium; Dihedral potential; Protein modeling

Indexed keywords

APPROXIMATION THEORY; CHARGE CARRIERS; CHARGE TRANSFER; CONFORMATIONS; ELECTRONIC DENSITY OF STATES; HYDROGEN BONDS; MOLECULAR DYNAMICS; ORGANIC COMPOUNDS; PROTEINS; WATER;

CHARGE TRANSFERABILITY; CONFORMATIONAL EQUILIBRIUM; DIHEDRAL POTENTIAL; PROTEIN MODELING;

POLYPEPTIDES;

DRUG DERIVATIVE; GLYCINE; N FORMYLGLYCINAMIDE; N-FORMYLGLYCINAMIDE; PROTEIN; WATER;

ALGORITHM; ARTICLE; CHEMISTRY; COMPARATIVE STUDY; CONFORMATION; ELECTRICITY; HYDROGEN BOND; THEORETICAL MODEL;

ALGORITHMS; ELECTROSTATICS; GLYCINE; HYDROGEN BONDING; MODELS, THEORETICAL; MOLECULAR CONFORMATION; PROTEINS; WATER;

EID: 0037472684     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.10159     Document Type: Article

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