Works matching IS 01928651 AND DT 1999 AND VI 20 AND IP 11
Results: 9
Prediction of approximate transition states by Bell-Evans-Polanyi principle: I.
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- Journal of Computational Chemistry, 1999, v. 20, n. 11, p. 1112, doi. 10.1002/(SICI)1096-987X(199908)20:11<1112::AID-JCC2>3.0.CO;2-2
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Application of combined Monte Carlo and molecular dynamics method to simulation of dipalmitoyl phosphatidylcholine lipid bilayer.
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- Journal of Computational Chemistry, 1999, v. 20, n. 11, p. 1153, doi. 10.1002/(SICI)1096-987X(199908)20:11<1153::AID-JCC6>3.0.CO;2-K
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Multiple-site ligand binding to flexible macromolecules: Separation of global and local conformational change and an iterative mobile clustering approach.
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- Journal of Computational Chemistry, 1999, v. 20, n. 11, p. 1091, doi. 10.1002/(SICI)1096-987X(199908)20:11<1091::AID-JCC1>3.0.CO;2-3
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Ab initio compact group model potentials for describing environment effects in cluster calculations.
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- Journal of Computational Chemistry, 1999, v. 20, n. 11, p. 1145, doi. 10.1002/(SICI)1096-987X(199908)20:11<1145::AID-JCC5>3.0.CO;2-I
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Improving performance of polarizable continuum model for study of large molecules in solution.
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- Journal of Computational Chemistry, 1999, v. 20, n. 11, p. 1186, doi. 10.1002/(SICI)1096-987X(199908)20:11<1186::AID-JCC9>3.0.CO;2-#
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Ab initio molecular orbital study on structures and energetics of CH<sub>3</sub>O<sup>−</sup>(H<sub>2</sub>O)<sub> n</sub> and CH<sub>3</sub>S<sup>−</sup>(H<sub>2</sub>O)<sub> n</sub> in gas phase.
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- Journal of Computational Chemistry, 1999, v. 20, n. 11, p. 1138, doi. 10.1002/(SICI)1096-987X(199908)20:11<1138::AID-JCC4>3.0.CO;2-D
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B LEEP-potential of mean force describing protein-ligand interactions: II. Calculation of binding energies and comparison with experimental data.
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- Journal of Computational Chemistry, 1999, v. 20, n. 11, p. 1177, doi. 10.1002/(SICI)1096-987X(199908)20:11<1177::AID-JCC8>3.0.CO;2-0
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Prediction of approximate transition states by Bell-Evans-Polanyi principle: II. Gas phase unimolecular decomposition of methyldioxirane.
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- Journal of Computational Chemistry, 1999, v. 20, n. 11, p. 1130, doi. 10.1002/(SICI)1096-987X(199908)20:11<1130::AID-JCC3>3.0.CO;2-3
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B LEEP-potential of mean force describing protein-ligand interactions: I. Generating potential.
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- Journal of Computational Chemistry, 1999, v. 20, n. 11, p. 1165, doi. 10.1002/(SICI)1096-987X(199908)20:11<1165::AID-JCC7>3.0.CO;2-A
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