Works matching IS 16102940 AND DT 2008 AND VI 14 AND IP 6
Results: 8
Electronic properties of some nitrobenzo[a]pyrene isomers: a possible relationship to mutagenic activity.
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- Journal of Molecular Modeling, 2008, v. 14, n. 6, p. 489, doi. 10.1007/s00894-008-0297-9
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- Article
Comparing the electronic properties and docking calculations of heme derivatives on CYP2B4.
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- Journal of Molecular Modeling, 2008, v. 14, n. 6, p. 537, doi. 10.1007/s00894-008-0294-z
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- Article
Modeling the excitation wavelengths (λ<sub>ex</sub>) of boronic acids.
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- Journal of Molecular Modeling, 2008, v. 14, n. 6, p. 441, doi. 10.1007/s00894-008-0293-0
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- Article
Application of the PM6 method to modeling the solid state.
- Published in:
- Journal of Molecular Modeling, 2008, v. 14, n. 6, p. 499, doi. 10.1007/s00894-008-0299-7
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- Article
Optimization of cutting schemes for the evaluation of molecular electrostatic potentials in proteins via Moving-Domain QM/MM.
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- Journal of Molecular Modeling, 2008, v. 14, n. 6, p. 479
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- Article
SAR comparative studies on pyrimido[4,5- b ][1,4] benzothiazine derivatives as 15-lipoxygenase inhibitors, using ab initio calculations.
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- Journal of Molecular Modeling, 2008, v. 14, n. 6, p. 471
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- Article
Geometric and electronic structures of new endohedral fullerenes: Eu@C<sub>72</sub>.
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- Journal of Molecular Modeling, 2008, v. 14, n. 6, p. 465
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- Article
Probing the interactions of the solvated electron with DNA by molecular dynamics simulations: bromodeoxyuridine substituted DNA.
- Published in:
- Journal of Molecular Modeling, 2008, v. 14, n. 6, p. 451, doi. 10.1007/s00894-008-0296-x
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- Article