Different electrostatic descriptors in comparative molecular field analysis: A comparison of molecular electrostatic and coulomb potentials

Journal of Computational Chemistry

Volumn 17, Issue 11, 1996, Pages 1296-1308

  Kroemer, Romano T ^a,c   Hecht, Peter ^a,d   Liedl, Klaus R ^b  

^a NOVARTIS PHARMA AG   (Switzerland)

^b UNIVERSITY OF INNSBRUCK   (Austria)

^c UNIVERSITY OF OXFORD   (United Kingdom)

^d Tripos GmbH   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; COMPUTATIONAL CHEMISTRY; COULOMB BLOCKADE; ELECTRIC FIELDS; INVERSE PROBLEMS; MOLECULAR GRAPHICS; MOLECULAR INTERACTIONS; MOLECULES;

ATOM-CENTERED POINT CHARGES; COMPARATIVE MOLECULAR FIELD ANALYSIS; ELECTROSTATIC CONTRIBUTIONS; ELECTROSTATIC DESCRIPTORS; ELECTROSTATIC POTENTIALS; MOLECULAR ELECTROSTATIC POTENTIALS; MULLIKEN POPULATION ANALYSIS; THREE DIMENSIONAL QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP (3D QSAR);

ELECTROSTATICS;

EID: 85033862992     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-987X(199608)17:11<1296::AID-JCC2>3.0.CO;2-H     Document Type: Review

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