Theoretical studies on identity S2 reactions of lithium halide and methyl halide: A microhydration model.
- Published in:
- Journal of Molecular Modeling, 2010, v. 16, n. 12, p. 1931, doi. 10.1007/s00894-010-0688-6
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- Publication type:
- Article
Works matching IS 16102940 AND DT 2010 AND VI 16 AND IP 12
Results: 13
1
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Modeling the binding modes of stilbene analogs to cyclooxygenase-2: a molecular docking study.
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- Journal of Molecular Modeling, 2010, v. 16, n. 12, p. 1919, doi. 10.1007/s00894-010-0679-7
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- Article
3
Theoretical study of Z isomers of A-type dimeric proanthocyanidins substituted with R=H, OH and OCH: stability and reactivity properties.
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- Journal of Molecular Modeling, 2010, v. 16, n. 12, p. 1895, doi. 10.1007/s00894-010-0682-z
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- Article
4
Pharmacophore modeling of human adenosine receptor A antagonists.
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- Journal of Molecular Modeling, 2010, v. 16, n. 12, p. 1867, doi. 10.1007/s00894-010-0690-z
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- Article
5
Computational study of the intramolecular proton transfer reactions of 3-hydroxytropolone (2,7-dihydroxycyclohepta-2,4,6-trien-1-one) and its dimers.
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- Journal of Molecular Modeling, 2010, v. 16, n. 12, p. 1877, doi. 10.1007/s00894-010-0674-z
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- Article
6
Modeling the three-dimensional structures of an unbound single-chain variable fragment (scFv) and its hypothetical complex with a Corynespora cassiicola toxin, cassiicolin.
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- Journal of Molecular Modeling, 2010, v. 16, n. 12, p. 1883, doi. 10.1007/s00894-010-0680-1
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- Article
7
Theoretical studies on reaction mechanism of H with COS.
- Published in:
- Journal of Molecular Modeling, 2010, v. 16, n. 12, p. 1911, doi. 10.1007/s00894-010-0686-8
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- Publication type:
- Article
8
Effect of piratoxin II and acutohaemolysin phospholipase (PLA2) proteins on myristic fatty acid-An ONIOM and DFT study.
- Published in:
- Journal of Molecular Modeling, 2010, v. 16, n. 12, p. 1853, doi. 10.1007/s00894-010-0681-0
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- Publication type:
- Article
9
Docking and 3D QSAR study of thiourea analogs as potent inhibitors of influenza virus neuraminidase.
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- Journal of Molecular Modeling, 2010, v. 16, n. 12, p. 1809, doi. 10.1007/s00894-010-0685-9
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- Article
10
Mesoscale simulation on patterned nanotube model for amphiphilic block copolymer.
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- Journal of Molecular Modeling, 2010, v. 16, n. 12, p. 1819, doi. 10.1007/s00894-010-0673-0
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- Publication type:
- Article
11
The dual descriptor to measure local reactivity on Buckminster fullerenes: an analysis within the framework of conceptual DFT.
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- Journal of Molecular Modeling, 2010, v. 16, n. 12, p. 1825, doi. 10.1007/s00894-009-0638-3
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- Article
12
Using protein-ligand docking to assess the chemical tractability of inhibiting a protein target.
- Published in:
- Journal of Molecular Modeling, 2010, v. 16, n. 12, p. 1833, doi. 10.1007/s00894-010-0683-y
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- Article
13
How to predict diffusion of medium-sized molecules in polymer matrices. From atomistic to coarse grain simulations.
- Published in:
- Journal of Molecular Modeling, 2010, v. 16, n. 12, p. 1845, doi. 10.1007/s00894-010-0687-7
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- Publication type:
- Article