A multipole-based water potential with implicit polarization for biomolecular simulations

Journal of Computational Chemistry

Volumn 30, Issue 6, 2009, Pages 893-899

  Walsh, T R ^a   Liang, T ^a  

^a UNIVERSITY OF WARWICK   (United Kingdom)

Author keywords

Ab initio; Biomolecule; Force field; Multipole; Solvation; Water

Indexed keywords

AB INITIO; ATOMISTIC SIMULATIONS; BIOMOLECULAR SIMULATION; BULK WATER; DISTRIBUTED MULTIPOLES; ELECTROSTATIC INTERACTIONS; FORCE-FIELD; MULTIPOLE; MULTIPOLE MOMENTS; SMALL CLUSTERS; WATER POTENTIAL;

FORESTRY; POLARIZATION; SOLVATION;

BIOMOLECULES;

DIPEPTIDE; N GLYCYLALANINE; N-GLYCYLALANINE; WATER;

ALGORITHM; ARTICLE; BIOLOGY; CHEMICAL STRUCTURE; CHEMISTRY; COMPARATIVE STUDY; COMPUTER SIMULATION; CONFORMATION; ECONOMICS; METHODOLOGY; STATIC ELECTRICITY; THERMODYNAMICS; TIME; VALIDATION STUDY;

ALGORITHMS; COMPUTATIONAL BIOLOGY; COMPUTER SIMULATION; DIPEPTIDES; MODELS, MOLECULAR; MOLECULAR CONFORMATION; STATIC ELECTRICITY; THERMODYNAMICS; TIME FACTORS; WATER;

EID: 65449145584     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21111     Document Type: Article

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