Works matching IS 01928651 AND DT 2004 AND VI 25 AND IP 13
Results: 10
Energetic and topological analysis of the reaction of Mo and Mo<sub>2</sub> with NH<sub>3</sub>, C<sub>2</sub>H<sub>2</sub>, and C<sub>2</sub>H<sub>4</sub> molecules.
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- Journal of Computational Chemistry, 2004, v. 25, n. 13, p. 1647, doi. 10.1002/jcc.20087
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Empirical force fields for biological macromolecules: Overview and issues.
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- Journal of Computational Chemistry, 2004, v. 25, n. 13, p. 1584, doi. 10.1002/jcc.20082
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Classical force field parameters for the heme prosthetic group of cytochrome c.
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- Journal of Computational Chemistry, 2004, v. 25, n. 13, p. 1613, doi. 10.1002/jcc.20079
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Fluctuation analysis and accuracy of a large-scale in silico screen.
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- Journal of Computational Chemistry, 2004, v. 25, n. 13, p. 1568, doi. 10.1002/jcc.20081
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Structure and dynamics of the Cr(III) ion in aqueous solution: Ab initio QM/MM molecular dynamics simulation.
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- Journal of Computational Chemistry, 2004, v. 25, n. 13, p. 1576, doi. 10.1002/jcc.20085
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Solvation forces on biomolecular structures: A comparison of explicit solvent and Poisson-Boltzmann models.
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- Journal of Computational Chemistry, 2004, v. 25, n. 13, p. 1623, doi. 10.1002/jcc.20089
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Models for the treatment of crystalline solids and surfaces.
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- Journal of Computational Chemistry, 2004, v. 25, n. 13, p. 1551, doi. 10.1002/jcc.20080
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UCSF Chimera-A visualization system for exploratory research and analysis.
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- Journal of Computational Chemistry, 2004, v. 25, n. 13, p. 1605, doi. 10.1002/jcc.20084
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Optimization and dynamics of protein-protein complexes using B-splines.
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- Journal of Computational Chemistry, 2004, v. 25, n. 13, p. 1630, doi. 10.1002/jcc.20088
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A biomolecular force field based on the free enthalpy of hydration and solvation: The GROMOS force-field parameter sets 53A5 and 53A6.
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- Journal of Computational Chemistry, 2004, v. 25, n. 13, p. 1656, doi. 10.1002/jcc.20090
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- Article