Works matching IS 01928651 AND DT 2013 AND VI 34 AND IP 9
Results: 11
The MM2QM tool for combining docking, molecular dynamics, molecular mechanics, and quantum mechanics†.
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- Journal of Computational Chemistry, 2013, v. 34, n. 9, p. 750, doi. 10.1002/jcc.23192
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Membrane protein native state discrimination by implicit membrane models.
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- Journal of Computational Chemistry, 2013, v. 34, n. 9, p. 731, doi. 10.1002/jcc.23189
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Further insights in the ability of classical nonadditive potentials to model actinide ion-water interactions.
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- Journal of Computational Chemistry, 2013, v. 34, n. 9, p. 707, doi. 10.1002/jcc.23184
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Inside Cover, Volume 34, Issue 9.
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- Journal of Computational Chemistry, 2013, v. 34, n. 9, p. iii, doi. 10.1002/jcc.23269
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An analytical approach for computing franck-condon integrals of harmonic oscillators with arbitrary dimensions.
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- Journal of Computational Chemistry, 2013, v. 34, n. 9, p. 757, doi. 10.1002/jcc.23194
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Efficient implementation of restricted active space configuration interaction with the hole and particle approximation.
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- Journal of Computational Chemistry, 2013, v. 34, n. 9, p. 720, doi. 10.1002/jcc.23188
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A valence bond model for aqueous Cu(II) and Zn(II) ions in the AMOEBA polarizable force field.
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- Journal of Computational Chemistry, 2013, v. 34, n. 9, p. 739, doi. 10.1002/jcc.23190
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Cover Image, Volume 34, Issue 9.
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- Journal of Computational Chemistry, 2013, v. 34, n. 9, p. i, doi. 10.1002/jcc.23268
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New insight into the electronic structure of iron(IV)-oxo porphyrin compound I. A quantum chemical topological analysis.
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- Journal of Computational Chemistry, 2013, v. 34, n. 9, p. 780, doi. 10.1002/jcc.23201
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Notes on quantitative structure-property relationships (QSPR), part 3: Density functions origin shift as a source of quantum QSPR algorithms in molecular spaces.
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- Journal of Computational Chemistry, 2013, v. 34, n. 9, p. 766, doi. 10.1002/jcc.23198
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Cluster-based molecular docking study for in silico identification of novel 6-fluoroquinolones as potential inhibitors against mycobacterium tuberculosis.
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- Journal of Computational Chemistry, 2013, v. 34, n. 9, p. 790, doi. 10.1002/jcc.23205
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- Article