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Journal of Computational Chemistry
Copyright © 2013 Wiley Periodicals, Inc., A Wiley Company
Edited By: Charles L. Brooks III, Masahiro Ehara, Gernot Frenking, and Peter R. Schreiner
Impact Factor: 4.583
ISI Journal Citation Reports © Ranking: 2011: 26/154 (Chemistry Multidisciplinary)
Online ISSN: 1096-987X
Associated Title(s): International Journal of Quantum Chemistry, Wiley Interdisciplinary Reviews: Computational Molecular Science
Keywords
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AB-INITIO ALGORITHM
AQUEOUS-SOLUTION ATOMS
COMPLEXES CORRELATION-ENERGY
CRYSTAL-STRUCTURE DENSITY
DENSITY-FUNCTIONAL THEORY DESIGN DOCKING
DRUG DESIGNDYNAMICS ELECTRONIC-STRUCTURE
ENERGY EXCHANGE FORCE-FIELD
GAS-PHASE GAUSSIAN-BASIS SETS MODEL
MOLECULAR-DYNAMICS SIMULATIONS
MOLECULAR DYNAMICS MOLECULES
OPTIMIZATION PREDICTION PROTEIN
QSAR SOLVATION SYSTEMS
WATER