Works matching IS 01928651 AND DT 2003 AND VI 24 AND IP 1
Results: 11
Cool walking: A new Markov chain Monte Carlo sampling method.
- Published in:
- Journal of Computational Chemistry, 2003, v. 24, n. 1, p. 68, doi. 10.1002/jcc.10181
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- Article
Molecular mechanics force-field development for amino acid zwitterions.
- Published in:
- Journal of Computational Chemistry, 2003, v. 24, n. 1, p. 111, doi. 10.1002/jcc.10174
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- Article
Inherent speedup limitations in multiple time step/particle mesh Ewald algorithms.
- Published in:
- Journal of Computational Chemistry, 2003, v. 24, n. 1, p. 77, doi. 10.1002/jcc.10196
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- Article
Catalysis on the coastline: Theozyme, molecular dynamics, and free energy perturbation analysis of antibody 21D8 catalysis of the decarboxylation of 5-nitro-3-carboxybenzisoxazole.
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- Journal of Computational Chemistry, 2003, v. 24, n. 1, p. 98, doi. 10.1002/jcc.10151
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- Article
Motifs in nucleic acids: Molecular mechanics restraints for base pairing and base stacking.
- Published in:
- Journal of Computational Chemistry, 2003, v. 24, n. 1, p. 1, doi. 10.1002/jcc.10173
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- Article
Using PC clusters to evaluate the transferability of molecular mechanics force fields for proteins.
- Published in:
- Journal of Computational Chemistry, 2003, v. 24, n. 1, p. 21, doi. 10.1002/jcc.10184
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- Publication type:
- Article
Transferability of fragmental contributions to the octanol/water partition coefficient: An NDDO-based MST study.
- Published in:
- Journal of Computational Chemistry, 2003, v. 24, n. 1, p. 32, doi. 10.1002/jcc.10155
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- Publication type:
- Article
Fast approximate methods for calculating nucleic acid base pair interaction energies.
- Published in:
- Journal of Computational Chemistry, 2003, v. 24, n. 1, p. 57, doi. 10.1002/jcc.10150
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- Publication type:
- Article
The intramolecular mechanism for the second proton transfer in triosephosphate isomerase (TIM): A QM/FE approach.
- Published in:
- Journal of Computational Chemistry, 2003, v. 24, n. 1, p. 46, doi. 10.1002/jcc.10153
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- Publication type:
- Article
MOPED: Method for optimizing physical energy parameters using decoys.
- Published in:
- Journal of Computational Chemistry, 2003, v. 24, n. 1, p. 89, doi. 10.1002/jcc.10124
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- Publication type:
- Article
Conformational analysis by intersection: CONAN.
- Published in:
- Journal of Computational Chemistry, 2003, v. 24, n. 1, p. 10, doi. 10.1002/jcc.10175
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- Publication type:
- Article