Ab initio-quality electrostatic potentials for proteins: An application of the ADMA approach

Journal of Physical Chemistry A

Volumn 106, Issue 48, 2002, Pages 11791-11800

  Exner, Thomas E ^a,b   Mezey, Paul G ^a  

^a UNIVERSITY OF SASKATCHEWAN   (Canada)

^b DARMSTADT UNIVERSITY OF TECHNOLOGY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; CATALYSIS; CHEMISTRY; COMPUTER AIDED SOFTWARE ENGINEERING; ELECTRIC POTENTIAL; ELECTRONIC DENSITY OF STATES; ELECTROSTATICS; MATHEMATICAL TRANSFORMATIONS; MOLECULAR DYNAMICS; QUANTUM THEORY;

ADDITIVE FUZZY DENSITY FRAGMENTATION; ADJUSTABLE DENSITY MATRIX ASSEMBLER; CRAMBIN; ELECTROSTATIC POTENTIALS; QUANTUM CHEMICAL CALCULATIONS;

PROTEINS;

EID: 0037028243     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0263166     Document Type: Article

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