Empirical and accurate method for the three-dimensional electrostatic potential (EM-ESP) of biomolecules

Journal of Physical Chemistry B

Volumn 114, Issue 12, 2010, Pages 4351-4357

  Du, Qi Shi ^a,b,c   Wang, Cheng Hua ^b,d   Wang, Yu Ting ^a   Huango, Ri Bo ^a,b,d  

^a NATIONAL ENGINEERING RESEARCH CENTER FOR NON FOOD BIOREFINERY   (China)

^b GUANGXI UNIVERSITY   (China)

^c NANJING TECH UNIVERSITY   (China)

^d GORDON LIFE SCIENCE INSTITUTE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BIOCHEMISTRY; BIOMOLECULES; ELECTROSTATICS; MACROMOLECULES; PROTEINS; QUANTUM CHEMISTRY; RNA; STRUCTURAL OPTIMIZATION; THREE DIMENSIONAL;

AROMATIC MOLECULES; ATOMIC CHARGE; BIOLOGICAL MACROMOLECULE; CALCULATION METHODS; ELECTROSTATIC POTENTIALS; GAUSSIAN FUNCTIONS; INTERMOLECULAR INTERACTIONS; LIFE-SCIENCES; MOLECULAR SPACE; ORGANIC MOLECULES; PARAMETER OPTIMIZATION; PARAMETRIZATIONS; PROTEIN-PROTEIN INTERACTIONS; QUANTUM CHEMICAL APPROACH; QUANTUM-CHEMICAL METHODS; RNA MOLECULES; SEMI-EMPIRICAL; TRAINING SETS; TWO PARAMETER;

ATOMS;

EID: 77950289421     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp910690z     Document Type: Article

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