A new method to determine electrostatic potential around a macromolecule in solution from molecular wave functions

Journal of Computational Chemistry

Volumn 27, Issue 4, 2006, Pages 453-462

  Yoshida, Norio ^a   Hirata, Fumio ^a,b  

^a INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

^b GRADUATE UNIVERSITY FOR ADVANCED STUDIES   (Japan)

Author keywords

Electrostatic potential; Macromolecule; Molecular wave function

Indexed keywords

CONTINUUM MECHANICS; ELECTRONIC STRUCTURE; ELECTROSTATICS; INTEGRAL EQUATIONS; ORBITS; SOLUTIONS;

ELECTROSTATIC POTENTIAL; MOLECULAR WAVE FUNCTION; SOLVATED FOCK MATRIX;

MACROMOLECULES;

METENKEPHALIN; WATER;

ALGORITHM; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; ELECTRICITY; PHYSICAL CHEMISTRY;

ALGORITHMS; CHEMISTRY, PHYSICAL; ELECTROSTATICS; ENKEPHALIN, METHIONINE; MODELS, MOLECULAR; WATER;

EID: 33644880787     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20356     Document Type: Article

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