A consistent force field parameter set for zwitterionic amino acid residues

Journal of Molecular Modeling

Volumn 20, Issue 11, 2014, Pages 1-14

  Horn, Anselm H C ^a  

^a UNIVERSITY OF ERLANGEN NUREMBERG   (Germany)

Author keywords

AMBER; Force field; Parameterization; RESP; Zwitterionic amino acid

Indexed keywords

ACETIC ACID DERIVATIVE; ALANINE; AMINO ACID; AMMONIA; AMPHOLYTE; ARGININE; GLUTAMIC ACID; GLYCINE; HISTIDINE; HYDROGEN; LEUCINE; LIGAND; PHENYLALANINE; PROTEIN BINDING; WATER;

AMINO TERMINAL SEQUENCE; ARTICLE; ATOM; CARBOXY TERMINAL SEQUENCE; CHEMICAL PARAMETERS; CONFORMATION; DIPOLE; FORCE FIELD PARAMETER; MOLECULAR DYNAMICS; PROTON TRANSPORT; QUANTUM CHEMISTRY; CHEMISTRY; PROTEIN CONFORMATION; STRUCTURE ACTIVITY RELATION;

AMINO ACIDS; ARGININE; GLUTAMIC ACID; GLYCINE; LEUCINE; LIGANDS; MOLECULAR DYNAMICS SIMULATION; PHENYLALANINE; PROTEIN BINDING; PROTEIN CONFORMATION; STRUCTURE-ACTIVITY RELATIONSHIP; WATER;

EID: 84912115740     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-014-2478-z     Document Type: Article

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