Works matching IS 16102940 AND DT 2011 AND VI 17 AND IP 1
Results: 19
Structure and dynamics of human vimentin intermediate filament dimer and tetramer in explicit and implicit solvent models.
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- Journal of Molecular Modeling, 2011, v. 17, n. 1, p. 37, doi. 10.1007/s00894-010-0696-6
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A computational study of the mechanism of the unimolecular elimination of α, β-unsaturated aldehydes in the gas phase.
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- Journal of Molecular Modeling, 2011, v. 17, n. 1, p. 21, doi. 10.1007/s00894-010-0700-1
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A leucine-rich repeat assembly approach for homology modeling of the human TLR5-10 and mouse TLR11-13 ectodomains.
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- Journal of Molecular Modeling, 2011, v. 17, n. 1, p. 27, doi. 10.1007/s00894-010-0697-5
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Urocanic acid as an efficient hydroxyl radical scavenger: a quantum theoretical study.
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- Journal of Molecular Modeling, 2011, v. 17, n. 1, p. 59, doi. 10.1007/s00894-010-0699-3
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Carbon doped boron phosphide nanotubes: A computational study.
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- Journal of Molecular Modeling, 2011, v. 17, n. 1, p. 89, doi. 10.1007/s00894-010-0702-z
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Electropolymerization of 3′,4′-disubstituted 2,2′:5′,2″-terthiophene derivatives. A theoretical and photovoltaic characterization.
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- Journal of Molecular Modeling, 2011, v. 17, n. 1, p. 81, doi. 10.1007/s00894-010-0651-6
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Computational characterization of how the VX nerve agent binds human serum paraoxonase 1.
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- Journal of Molecular Modeling, 2011, v. 17, n. 1, p. 97, doi. 10.1007/s00894-010-0693-9
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Anthranilate derivatives as TACE inhibitors: Docking based CoMFA and CoMSIA analyses.
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- Journal of Molecular Modeling, 2011, v. 17, n. 1, p. 9, doi. 10.1007/s00894-010-0695-7
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Molecular modeling of 4-methylphthalonitrile for dye sensitized solar cells using quantum chemical calculations.
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- Journal of Molecular Modeling, 2011, v. 17, n. 1, p. 49, doi. 10.1007/s00894-010-0704-x
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Atomistic modeling of apatite-collagen composites from molecular dynamics simulations extended to hyperspace.
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- Journal of Molecular Modeling, 2011, v. 17, n. 1, p. 73, doi. 10.1007/s00894-010-0707-7
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Conformational analysis of piperazine and piperidine analogs of GBR 12909: stochastic approach to evaluating the effects of force fields and solvent.
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- Journal of Molecular Modeling, 2011, v. 17, n. 1, p. 181, doi. 10.1007/s00894-010-0712-x
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3D-QSAR studies on caspase-mediated apoptosis activity of phenolic analogues.
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- Journal of Molecular Modeling, 2011, v. 17, n. 1, p. 1, doi. 10.1007/s00894-010-0689-5
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Equivalent potential of water for the electronic structure of glycine.
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- Journal of Molecular Modeling, 2011, v. 17, n. 1, p. 111, doi. 10.1007/s00894-010-0705-9
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Hydroxyl group as a substituent with varying electronic properties: Effect of strength of H-bonding on charge density changes in Ph-OH...F complexes.
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- Journal of Molecular Modeling, 2011, v. 17, n. 1, p. 125, doi. 10.1007/s00894-010-0703-y
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Open3DQSAR: a new open-source software aimed at high-throughput chemometric analysis of molecular interaction fields.
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- Journal of Molecular Modeling, 2011, v. 17, n. 1, p. 201, doi. 10.1007/s00894-010-0684-x
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Binding Selectivity of RecA to a single stranded DNA, a computational approach.
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- Journal of Molecular Modeling, 2011, v. 17, n. 1, p. 133, doi. 10.1007/s00894-010-0694-8
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Ligand-based and structure-based approaches in identifying ideal pharmacophore against c-Jun N-terminal kinase-3.
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- Journal of Molecular Modeling, 2011, v. 17, n. 1, p. 151, doi. 10.1007/s00894-010-0701-0
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Experimental and theoretical investigations on the structure-properties interrelationship of the gadolinium-vanadate-germanate glasses.
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- Journal of Molecular Modeling, 2011, v. 17, n. 1, p. 165, doi. 10.1007/s00894-010-0706-8
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Optimal molecular structures of prion AGAAAAGA amyloid fibrils formatted by simulated annealing.
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- Journal of Molecular Modeling, 2011, v. 17, n. 1, p. 173, doi. 10.1007/s00894-010-0691-y
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