Works matching IS 16102940 AND DT 2010 AND VI 16 AND IP 2
Results: 21
Factor analysis of microbiological activity data and structural parameters of antibacterial quinolones.
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- Journal of Molecular Modeling, 2010, v. 16, n. 2, p. 327, doi. 10.1007/s00894-009-0549-3
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Molecule design and screening of novel unsymmetrical zinc phthalocyanine sensitizers for dye-sensitized solar cells.
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- Journal of Molecular Modeling, 2010, v. 16, n. 2, p. 303, doi. 10.1007/s00894-009-0543-9
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Cancer-relevant biochemical targets of cytotoxic Lonchocarpus flavonoids: A molecular docking analysis.
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- Journal of Molecular Modeling, 2010, v. 16, n. 2, p. 311, doi. 10.1007/s00894-009-0547-5
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Theoretical description of bonding in cis-W(CO)<sub>4</sub>(piperidine)<sub>2</sub> and its dimer.
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- Journal of Molecular Modeling, 2010, v. 16, n. 2, p. 337, doi. 10.1007/s00894-009-0545-7
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Efficient conformational sampling of multiconformational cyclic molecules: application to 1,4,7,10,13-Pentaoxacyclopentadecane.
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- Journal of Molecular Modeling, 2010, v. 16, n. 2, p. 285, doi. 10.1007/s00894-009-0550-x
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A study on the interaction between 5-Methyluridine and human serum albumin using fluorescence quenching method and molecular modeling.
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- Journal of Molecular Modeling, 2010, v. 16, n. 2, p. 255, doi. 10.1007/s00894-009-0548-4
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Cation recognition of thiacalix[2]thianthrene and p-tert-butylthiacalix[2]thianthrene and their conformers and complexes with Zn(II), Cd(II) and Hg(II): a theoretical investigation.
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- Journal of Molecular Modeling, 2010, v. 16, n. 2, p. 243, doi. 10.1007/s00894-009-0536-8
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Theoretical characterization of SOME amides and esters DERIVATIVES of valproic acid.
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- Journal of Molecular Modeling, 2010, v. 16, n. 2, p. 343, doi. 10.1007/s00894-009-0554-6
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An experimental and theoretical approach to the molecular structure of 2-{4-[3-(2,5-dimethylphenyl)-3-methylcyclobutyl]thiazol-2-yl}isoindoline-1,3-dione.
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- Journal of Molecular Modeling, 2010, v. 16, n. 2, p. 291
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Evolutionary trace analysis of CYP51 family: implication for site-directed mutagenesis and novel antifungal drug design.
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- Journal of Molecular Modeling, 2010, v. 16, n. 2, p. 279, doi. 10.1007/s00894-009-0527-9
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In silico QSAR studies of anilinoquinolines as EGFR inhibitors.
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- Journal of Molecular Modeling, 2010, v. 16, n. 2, p. 263, doi. 10.1007/s00894-009-0534-x
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Meta-heuristics on quantitative structure-activity relationships: study on polychlorinated biphenyls.
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- Journal of Molecular Modeling, 2010, v. 16, n. 2, p. 377
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3D-QSAR study of c-Src kinase inhibitors based on docking.
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- Journal of Molecular Modeling, 2010, v. 16, n. 2, p. 361, doi. 10.1007/s00894-009-0530-1
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Mg-Al layered double hydroxide intercalated with porphyrin anions: molecular simulations and experiments.
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- Journal of Molecular Modeling, 2010, v. 16, n. 2, p. 223
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Density functional computational studies on (E)-2-[(2-Hydroxy-5-nitrophenyl)-iminiomethyl]-4-nitrophenolate.
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- Journal of Molecular Modeling, 2010, v. 16, n. 2, p. 235, doi. 10.1007/s00894-009-0539-5
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Superimposition of protein structures with dynamically weighted RMSD.
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- Journal of Molecular Modeling, 2010, v. 16, n. 2, p. 211, doi. 10.1007/s00894-009-0538-6
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An analysis of hydrophobic interactions of thymidylate synthase with methotrexate: Free energy calculations involving mutant and native structures bound to methotrexate.
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- Journal of Molecular Modeling, 2010, v. 16, n. 2, p. 203, doi. 10.1007/s00894-009-0535-9
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Structural analysis and the effect of cyclo(HisâPro) dipeptide on neurotoxinsâa dynamics and density functional theory study.
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- Journal of Molecular Modeling, 2010, v. 16, n. 2, p. 193, doi. 10.1007/s00894-009-0531-0
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New vistas in GPCR 3D structure prediction.
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- Journal of Molecular Modeling, 2010, v. 16, n. 2, p. 183, doi. 10.1007/s00894-009-0533-y
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Variation of reaction dynamics for OH hydrogen abstraction from glycine between ab initio levels of theory.
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- Journal of Molecular Modeling, 2010, v. 16, n. 2, p. 175, doi. 10.1007/s00894-009-0532-z
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Molecular-docking-guided 3D-QSAR studies of substituted isoquinoline-1,3-(2H,4H)-diones as cyclin-dependent kinase 4 (CDK4) inhibitors.
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- Journal of Molecular Modeling, 2010, v. 16, n. 2, p. 163, doi. 10.1007/s00894-009-0529-7
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