ONIOM DFT/PM3 calculation on the interaction between STI-571 and abelson tyrosine kinase.
- Published in:
- Journal of Molecular Modeling, 2008, v. 14, n. 11, p. 1083, doi. 10.1007/s00894-008-0351-7
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- Publication type:
- Article
Works matching IS 16102940 AND DT 2008 AND VI 14 AND IP 11
Results: 12
1
2
Molecular modeling study on chemically diverse series of cyclooxygenase-2 selective inhibitors: generation of predictive pharmacophore model using Catalyst.
- Published in:
- Journal of Molecular Modeling, 2008, v. 14, n. 11, p. 1087, doi. 10.1007/s00894-008-0350-8
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- Publication type:
- Article
3
Molecular modeling of nitrosamines adsorbed on H-ZSM-5 zeolite: An ONIOM study.
- Published in:
- Journal of Molecular Modeling, 2008, v. 14, n. 11, p. 1035, doi. 10.1007/s00894-008-0346-4
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- Publication type:
- Article
4
Characterization of a candidate multi-pole molecular switch using computational techniques.
- Published in:
- Journal of Molecular Modeling, 2008, v. 14, n. 11, p. 1, doi. 10.1007/s00894-008-0345-5
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- Publication type:
- Article
5
Modeling the spontaneous initiation of the polymerization of methyl methacrylate.
- Published in:
- Journal of Molecular Modeling, 2008, v. 14, n. 11, p. 1053, doi. 10.1007/s00894-008-0344-6
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- Publication type:
- Article
6
Exploring CYP1A1 as anticancer target: homology modeling and in silico inhibitor design.
- Published in:
- Journal of Molecular Modeling, 2008, v. 14, n. 11, p. 1, doi. 10.1007/s00894-008-0354-4
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- Publication type:
- Article
7
Continuous metadynamics in essential coordinates as a tool for free energy modelling of conformational changes.
- Published in:
- Journal of Molecular Modeling, 2008, v. 14, n. 11, p. 995, doi. 10.1007/s00894-008-0343-7
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- Publication type:
- Article
8
Rotational model for nematic phase stability of fluorinated phenylbicyclohexane liquid crystals.
- Published in:
- Journal of Molecular Modeling, 2008, v. 14, n. 11, p. 1043, doi. 10.1007/s00894-008-0341-9
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- Publication type:
- Article
9
DFT-based theoretical QSPR models of Q-e parameters for the prediction of reactivity in free-radical copolymerizations.
- Published in:
- Journal of Molecular Modeling, 2008, v. 14, n. 11, p. 1065, doi. 10.1007/s00894-008-0339-3
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- Publication type:
- Article
10
Data mining using template-based molecular docking on tetrahydroimidazo-[4,5,1-jk][1,4]-benzodiazepinone (TIBO) derivatives as HIV-1RT inhibitors.
- Published in:
- Journal of Molecular Modeling, 2008, v. 14, n. 11, p. 1009, doi. 10.1007/s00894-008-0335-7
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- Publication type:
- Article
11
Electronic analysis of vanadium and iron complexes containing distorted aromatic rings.
- Published in:
- Journal of Molecular Modeling, 2008, v. 14, n. 11, p. 1003, doi. 10.1007/s00894-008-0333-9
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- Publication type:
- Article
12
Pharmacophore search for anti-fertility and estrogenic potencies of estrogen analogs.
- Published in:
- Journal of Molecular Modeling, 2008, v. 14, n. 11, p. 1071, doi. 10.1007/s00894-008-0338-4
- By:
- Publication type:
- Article