Works matching IS 16102940 AND DT 2010 AND VI 16 AND IP 1
Results: 14
Theoretical evaluation of the order of reactivity of transfer agents utilized in RAFT polymerization.
- Published in:
- Journal of Molecular Modeling, 2010, v. 16, n. 1, p. 95, doi. 10.1007/s00894-009-0524-z
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- Article
Docking and 3D QSAR studies of protoporphyrinogen oxidase inhibitor 3H-pyrazolo[3,4-d][1,2,3]triazin-4-one derivatives.
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- Journal of Molecular Modeling, 2010, v. 16, n. 1, p. 137, doi. 10.1007/s00894-009-0528-8
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A theoretical study of red-shifting and blue-shifting hydrogen bonds occurring between imidazolidine derivatives and PEG/PVP polymers.
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- Journal of Molecular Modeling, 2010, v. 16, n. 1, p. 119, doi. 10.1007/s00894-009-0525-y
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- Article
Hemolytic mechanism of dioscin proposed by molecular dynamics simulations.
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- Journal of Molecular Modeling, 2010, v. 16, n. 1, p. 107, doi. 10.1007/s00894-009-0523-0
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Theoretical and experimental studies of vibrational spectra and thermal analysis of 2-nitroaniline and its cation.
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- Journal of Molecular Modeling, 2010, v. 16, n. 1, p. 87, doi. 10.1007/s00894-009-0522-1
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Probing ligand binding modes of Mycobacterium tuberculosis MurC ligase by molecular modeling, dynamics simulation and docking.
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- Journal of Molecular Modeling, 2010, v. 16, n. 1, p. 77, doi. 10.1007/s00894-009-0521-2
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Insight into ligand selectivity in HCV NS5B polymerase: molecular dynamics simulations, free energy decomposition and docking.
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- Journal of Molecular Modeling, 2010, v. 16, n. 1, p. 49, doi. 10.1007/s00894-009-0519-9
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Insights derived from molecular dynamics simulation into the molecular motions of serine protease proteinase K.
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- Journal of Molecular Modeling, 2010, v. 16, n. 1, p. 17, doi. 10.1007/s00894-009-0518-x
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- Article
Explaining the inhibition of cyclin-dependent kinase 5 by peptides derived from p25 with molecular dynamics simulations and MM-PBSA.
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- Journal of Molecular Modeling, 2010, v. 16, n. 1, p. 1, doi. 10.1007/s00894-009-0514-1
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Design and synthesis of thiourea based receptor containing naphthalene as oxalate selective sensor.
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- Journal of Molecular Modeling, 2010, v. 16, n. 1, p. 129, doi. 10.1007/s00894-009-0526-x
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Generation of a 3D model for human GABA transporter hGAT-1 using molecular modeling and investigation of the binding of GABA.
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- Journal of Molecular Modeling, 2010, v. 16, n. 1, p. 155, doi. 10.1007/s00894-009-0520-3
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Kinetoplastid RNA editing ligases 1 and 2 exhibit different electrostatic properties.
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- Journal of Molecular Modeling, 2010, v. 16, n. 1, p. 61, doi. 10.1007/s00894-009-0506-1
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- Article
AM1* parameters for cobalt and nickel.
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- Journal of Molecular Modeling, 2010, v. 16, n. 1, p. 29, doi. 10.1007/s00894-009-0503-4
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Bonding and electronic structures in W@Au<sub>12</sub>AE complexes (AE= NO<sup>+</sup>, CO, BF, CN<sup>–</sup>, or BO<sup>–</sup>): analogies among ligands isoelectronic to carbon monoxide.
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- Journal of Molecular Modeling, 2010, v. 16, n. 1, p. 9, doi. 10.1007/s00894-009-0517-y
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- Article