Works matching IS 01928651 AND DT 2004 AND VI 25 AND IP 11
Results: 12
New 2D graphical representation of DNA sequences.
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- Journal of Computational Chemistry, 2004, v. 25, n. 11, p. 1364, doi. 10.1002/jcc.20060
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- Article
Analytical method for the representation of atoms-in-molecules densities.
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- Journal of Computational Chemistry, 2004, v. 25, n. 11, p. 1355, doi. 10.1002/jcc.20064
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- Article
Wavelet algorithm for solving integral equations of molecular liquids. A test for the reference interaction site model.
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- Journal of Computational Chemistry, 2004, v. 25, n. 11, p. 1369, doi. 10.1002/jcc.20068
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An evaluation of the radial part of numerical integration commonly used in DFT.
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- Journal of Computational Chemistry, 2004, v. 25, n. 11, p. 1378, doi. 10.1002/jcc.20063
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- Article
Charge optimization of the interface between protein kinases and their ligands.
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- Journal of Computational Chemistry, 2004, v. 25, n. 11, p. 1416, doi. 10.1002/jcc.20067
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Assessing the reliability of density functional methods in the conformational study of polypeptides: The treatment of intraresidue nonbonding interactions.
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- Journal of Computational Chemistry, 2004, v. 25, n. 11, p. 1333, doi. 10.1002/jcc.20062
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- Article
Development of the force field parameters for phosphoimidazole and phosphohistidine.
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- Journal of Computational Chemistry, 2004, v. 25, n. 11, p. 1313, doi. 10.1002/jcc.20055
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- Article
Accuracy of free energies of hydration using CM1 and CM3 atomic charges.
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- Journal of Computational Chemistry, 2004, v. 25, n. 11, p. 1322, doi. 10.1002/jcc.20059
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Electrostatic potentials and fields from density expansions of deformed atoms in molecules.
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- Journal of Computational Chemistry, 2004, v. 25, n. 11, p. 1347, doi. 10.1002/jcc.20061
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- Article
Extending the treatment of backbone energetics in protein force fields: Limitations of gas-phase quantum mechanics in reproducing protein conformational distributions in molecular dynamics simulations.
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- Journal of Computational Chemistry, 2004, v. 25, n. 11, p. 1400, doi. 10.1002/jcc.20065
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- Article
Basis set effects on calculated geometries: 6-311++G** vs. aug-cc-pVDZ.
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- Journal of Computational Chemistry, 2004, v. 25, n. 11, p. 1342, doi. 10.1002/jcc.20058
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- Article
A comparative molecular field analysis (CoMFA) study using semiempirical, density functional, ab initio methods and pharmacophore derivation using DISCOtech on sigma 1 ligands.
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- Journal of Computational Chemistry, 2004, v. 25, n. 11, p. 1385, doi. 10.1002/jcc.10410
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- Article