| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Computational study of the intramolecular proton transfer reactions of 3-hydroxytropolone (2,7-dihydroxycyclohepta-2,4,6-trien-1-one) and its dimers
|
Isin, Dilara Özbakir
|
|
2010
|
16 |
12 |
p. 1877-1882
|
artikel
|
| 2 |
Docking and 3D QSAR study of thiourea analogs as potent inhibitors of influenza virus neuraminidase
|
Sun, Jiaying
|
|
2010
|
16 |
12 |
p. 1809-1818
|
artikel
|
| 3 |
Effect of piratoxin II and acutohaemolysin phospholipase (PLA2) proteins on myristic fatty acid—An ONIOM and DFT study
|
Abiram, Angamuthu
|
|
2010
|
16 |
12 |
p. 1853-1865
|
artikel
|
| 4 |
How to predict diffusion of medium-sized molecules in polymer matrices. From atomistic to coarse grain simulations
|
Gautieri, Alfonso
|
|
2010
|
16 |
12 |
p. 1845-1851
|
artikel
|
| 5 |
Mesoscale simulation on patterned nanotube model for amphiphilic block copolymer
|
Yang, Shou-Hong
|
|
2010
|
16 |
12 |
p. 1819-1824
|
artikel
|
| 6 |
Modeling the binding modes of stilbene analogs to cyclooxygenase-2: a molecular docking study
|
Bouaziz-Terrachet, Souhila
|
|
2010
|
16 |
12 |
p. 1919-1929
|
artikel
|
| 7 |
Modeling the three-dimensional structures of an unbound single-chain variable fragment (scFv) and its hypothetical complex with a Corynespora cassiicola toxin, cassiicolin
|
Malik, Adeel
|
|
2010
|
16 |
12 |
p. 1883-1893
|
artikel
|
| 8 |
Pharmacophore modeling of human adenosine receptor A2A antagonists
|
Xu, Zhejun
|
|
2010
|
16 |
12 |
p. 1867-1876
|
artikel
|
| 9 |
The dual descriptor to measure local reactivity on Buckminster fullerenes: an analysis within the framework of conceptual DFT
|
Martínez, Jorge Ignacio
|
|
2010
|
16 |
12 |
p. 1825-1832
|
artikel
|
| 10 |
Theoretical studies on identity SN2 reactions of lithium halide and methyl halide: A microhydration model
|
Zheng, Shiyuan
|
|
2010
|
16 |
12 |
p. 1931-1937
|
artikel
|
| 11 |
Theoretical studies on reaction mechanism of H2 with COS
|
Zhang, Riguang
|
|
2010
|
16 |
12 |
p. 1911-1917
|
artikel
|
| 12 |
Theoretical study of Z isomers of A-type dimeric proanthocyanidins substituted with R=H, OH and OCH3: stability and reactivity properties
|
Bentz, Erika N.
|
|
2010
|
16 |
12 |
p. 1895-1909
|
artikel
|
| 13 |
Using protein-ligand docking to assess the chemical tractability of inhibiting a protein target
|
Ward, Richard A.
|
|
2010
|
16 |
12 |
p. 1833-1843
|
artikel
|
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