Works matching IS 01928651 AND DT 1999 AND VI 20 AND IP 16
Results: 8
Conformational analysis of three pyrophosphate model species: Diphosphate, methyl diphosphate, and triphosphate.
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- Journal of Computational Chemistry, 1999, v. 20, n. 16, p. 1702, doi. 10.1002/(SICI)1096-987X(199912)20:16<1702::AID-JCC3>3.0.CO;2-H
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Global cluster geometry optimization by a phenotype algorithm with Niches: Location of elusive minima, and low-order scaling with cluster size.
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- Journal of Computational Chemistry, 1999, v. 20, n. 16, p. 1752, doi. 10.1002/(SICI)1096-987X(199912)20:16<1752::AID-JCC7>3.0.CO;2-0
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Effective generation of molecular cavities in polarizable continuum model by DefPol procedure.
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- Journal of Computational Chemistry, 1999, v. 20, n. 16, p. 1693, doi. 10.1002/(SICI)1096-987X(199912)20:16<1693::AID-JCC2>3.0.CO;2-B
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A critical evaluation of several global optimization algorithms for the purpose of molecular docking.
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- Journal of Computational Chemistry, 1999, v. 20, n. 16, p. 1740, doi. 10.1002/(SICI)1096-987X(199912)20:16<1740::AID-JCC6>3.0.CO;2-A
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Effect of a complex formation on the calculated low-pressure rate constant of a bimolecular gas-phase reaction governed by tunneling.
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- Journal of Computational Chemistry, 1999, v. 20, n. 16, p. 1685, doi. 10.1002/(SICI)1096-987X(199912)20:16<1685::AID-JCC1>3.0.CO;2-9
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Multigrid high-order mesh refinement techniques for composite grid electrostatics calculations.
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- Journal of Computational Chemistry, 1999, v. 20, n. 16, p. 1731, doi. 10.1002/(SICI)1096-987X(199912)20:16<1731::AID-JCC5>3.0.CO;2-B
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Molecular anharmonicity: A computer-aided treatment.
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- Journal of Computational Chemistry, 1999, v. 20, n. 16, p. 1716, doi. 10.1002/(SICI)1096-987X(199912)20:16<1716::AID-JCC4>3.0.CO;2-1
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From simulation data to conformational ensembles: Structure and dynamics-based methods.
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- Journal of Computational Chemistry, 1999, v. 20, n. 16, p. 1760, doi. 10.1002/(SICI)1096-987X(199912)20:16<1760::AID-JCC8>3.0.CO;2-2
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