Factor analysis of microbiological activity data and structural parameters of antibacterial quinolones.
- Published in:
- Journal of Molecular Modeling, 2010, v. 16, n. 2, p. 327, doi. 10.1007/s00894-009-0549-3
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- Publication type:
- Article
Works matching IS 16102940 AND DT 2010 AND VI 16 AND IP 2
Results: 21
1
2
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.
- Published in:
- Journal of Molecular Modeling, 2010, v. 16, n. 2, p. 243, doi. 10.1007/s00894-009-0536-8
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- Publication type:
- Article
3
Cancer-relevant biochemical targets of cytotoxic Lonchocarpus flavonoids: A molecular docking analysis.
- Published in:
- Journal of Molecular Modeling, 2010, v. 16, n. 2, p. 311, doi. 10.1007/s00894-009-0547-5
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- Publication type:
- Article
4
Theoretical description of bonding in cis-W(CO)<sub>4</sub>(piperidine)<sub>2</sub> and its dimer.
- Published in:
- Journal of Molecular Modeling, 2010, v. 16, n. 2, p. 337, doi. 10.1007/s00894-009-0545-7
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- Publication type:
- Article
5
Efficient conformational sampling of multiconformational cyclic molecules: application to 1,4,7,10,13-Pentaoxacyclopentadecane.
- Published in:
- Journal of Molecular Modeling, 2010, v. 16, n. 2, p. 285, doi. 10.1007/s00894-009-0550-x
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- Publication type:
- Article
6
A study on the interaction between 5-Methyluridine and human serum albumin using fluorescence quenching method and molecular modeling.
- Published in:
- Journal of Molecular Modeling, 2010, v. 16, n. 2, p. 255, doi. 10.1007/s00894-009-0548-4
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- Publication type:
- Article
7
Molecule design and screening of novel unsymmetrical zinc phthalocyanine sensitizers for dye-sensitized solar cells.
- Published in:
- Journal of Molecular Modeling, 2010, v. 16, n. 2, p. 303, doi. 10.1007/s00894-009-0543-9
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- Publication type:
- Article
8
Theoretical characterization of SOME amides and esters DERIVATIVES of valproic acid.
- Published in:
- Journal of Molecular Modeling, 2010, v. 16, n. 2, p. 343, doi. 10.1007/s00894-009-0554-6
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- Publication type:
- Article
9
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.
- Published in:
- Journal of Molecular Modeling, 2010, v. 16, n. 2, p. 291
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- Publication type:
- Article
10
Evolutionary trace analysis of CYP51 family: implication for site-directed mutagenesis and novel antifungal drug design.
- Published in:
- Journal of Molecular Modeling, 2010, v. 16, n. 2, p. 279, doi. 10.1007/s00894-009-0527-9
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- Publication type:
- Article
11
In silico QSAR studies of anilinoquinolines as EGFR inhibitors.
- Published in:
- Journal of Molecular Modeling, 2010, v. 16, n. 2, p. 263, doi. 10.1007/s00894-009-0534-x
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- Publication type:
- Article
12
Meta-heuristics on quantitative structure-activity relationships: study on polychlorinated biphenyls.
- Published in:
- Journal of Molecular Modeling, 2010, v. 16, n. 2, p. 377
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- Publication type:
- Article
13
3D-QSAR study of c-Src kinase inhibitors based on docking.
- Published in:
- Journal of Molecular Modeling, 2010, v. 16, n. 2, p. 361, doi. 10.1007/s00894-009-0530-1
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- Publication type:
- Article
14
Mg-Al layered double hydroxide intercalated with porphyrin anions: molecular simulations and experiments.
- Published in:
- Journal of Molecular Modeling, 2010, v. 16, n. 2, p. 223
- By:
- Publication type:
- Article
15
Density functional computational studies on (E)-2-[(2-Hydroxy-5-nitrophenyl)-iminiomethyl]-4-nitrophenolate.
- Published in:
- Journal of Molecular Modeling, 2010, v. 16, n. 2, p. 235, doi. 10.1007/s00894-009-0539-5
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- Publication type:
- Article
16
Superimposition of protein structures with dynamically weighted RMSD.
- Published in:
- Journal of Molecular Modeling, 2010, v. 16, n. 2, p. 211, doi. 10.1007/s00894-009-0538-6
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- Publication type:
- Article
17
An analysis of hydrophobic interactions of thymidylate synthase with methotrexate: Free energy calculations involving mutant and native structures bound to methotrexate.
- Published in:
- Journal of Molecular Modeling, 2010, v. 16, n. 2, p. 203, doi. 10.1007/s00894-009-0535-9
- By:
- Publication type:
- Article
18
Structural analysis and the effect of cyclo(HisâPro) dipeptide on neurotoxinsâa dynamics and density functional theory study.
- Published in:
- Journal of Molecular Modeling, 2010, v. 16, n. 2, p. 193, doi. 10.1007/s00894-009-0531-0
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- Publication type:
- Article
19
New vistas in GPCR 3D structure prediction.
- Published in:
- Journal of Molecular Modeling, 2010, v. 16, n. 2, p. 183, doi. 10.1007/s00894-009-0533-y
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- Publication type:
- Article
20
Variation of reaction dynamics for OH hydrogen abstraction from glycine between ab initio levels of theory.
- Published in:
- Journal of Molecular Modeling, 2010, v. 16, n. 2, p. 175, doi. 10.1007/s00894-009-0532-z
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- Publication type:
- Article
21
Molecular-docking-guided 3D-QSAR studies of substituted isoquinoline-1,3-(2H,4H)-diones as cyclin-dependent kinase 4 (CDK4) inhibitors.
- Published in:
- Journal of Molecular Modeling, 2010, v. 16, n. 2, p. 163, doi. 10.1007/s00894-009-0529-7
- By:
- Publication type:
- Article