Works matching IS 16102940 AND DT 2010 AND VI 16 AND IP 8
Results: 13
Structures and energies of the radicals and anions generated from chlorpyrifos.
- Published in:
- Journal of Molecular Modeling, 2010, v. 16, n. 8, p. 1369, doi. 10.1007/s00894-010-0648-1
- By:
- Publication type:
- Article
Molecular modeling study of isoindolines as L-type Ca<sup>2+</sup> channel blockers by docking calculations.
- Published in:
- Journal of Molecular Modeling, 2010, v. 16, n. 8, p. 1377, doi. 10.1007/s00894-010-0643-6
- By:
- Publication type:
- Article
Some physicochemical properties of the antitumor drug thiotepa and its metabolite tepa as obtained by density functional theory (DFT) calculations.
- Published in:
- Journal of Molecular Modeling, 2010, v. 16, n. 8, p. 1383, doi. 10.1007/s00894-010-0658-z
- By:
- Publication type:
- Article
Theoretical study of hydrogen bonding interactions on MDI-based polyurethane.
- Published in:
- Journal of Molecular Modeling, 2010, v. 16, n. 8, p. 1391, doi. 10.1007/s00894-010-0645-4
- By:
- Publication type:
- Article
Theoretical investigation of the ring opening process of verdoheme to biliverdin in the presence of dioxygen.
- Published in:
- Journal of Molecular Modeling, 2010, v. 16, n. 8, p. 1401, doi. 10.1007/s00894-010-0644-5
- By:
- Publication type:
- Article
Analysis of anisotropic effects in trinuclear metal carbonyl compounds by visualization of through-space NMR shielding.
- Published in:
- Journal of Molecular Modeling, 2010, v. 16, n. 8, p. 1415, doi. 10.1007/s00894-010-0662-3
- By:
- Publication type:
- Article
Theoretical calculation of partition coefficients of dimethoxypyrimidinylsalicylic acids.
- Published in:
- Journal of Molecular Modeling, 2010, v. 16, n. 8, p. 1421, doi. 10.1007/s00894-010-0668-x
- By:
- Publication type:
- Article
Distinct interactions between the human adrenergic β<sub>2</sub> receptor and Gα<sub>s</sub>—an in silico study.
- Published in:
- Journal of Molecular Modeling, 2010, v. 16, n. 8, p. 1307, doi. 10.1007/s00894-010-0646-3
- By:
- Publication type:
- Article
Evaluation of molecular descriptors and HPLC retention data of analgesic and anti-inflammatory drugs by factor analysis in relation to their pharmacological activity.
- Published in:
- Journal of Molecular Modeling, 2010, v. 16, n. 8, p. 1319, doi. 10.1007/s00894-010-0647-2
- By:
- Publication type:
- Article
Experimental and theoretical studies of the structure of tellurate-borate glasses network.
- Published in:
- Journal of Molecular Modeling, 2010, v. 16, n. 8, p. 1333, doi. 10.1007/s00894-009-0641-8
- By:
- Publication type:
- Article
A modified phase-fitted and amplification-fitted Runge-Kutta-Nyström method for the numerical solution of the radial Schrödinger equation.
- Published in:
- Journal of Molecular Modeling, 2010, v. 16, n. 8, p. 1339, doi. 10.1007/s00894-009-0626-7
- By:
- Publication type:
- Article
Photodimerizations of hydroxy- and benzoylated 4-azachalcones and quantum chemical investigation of the reactions.
- Published in:
- Journal of Molecular Modeling, 2010, v. 16, n. 8, p. 1347, doi. 10.1007/s00894-009-0642-7
- By:
- Publication type:
- Article
Exploring the molecular basis for selective binding of Mycobacterium tuberculosis Asp kinase toward its natural substrates and feedback inhibitors: A docking and molecular dynamics study.
- Published in:
- Journal of Molecular Modeling, 2010, v. 16, n. 8, p. 1357, doi. 10.1007/s00894-010-0653-4
- By:
- Publication type:
- Article