| no |
title |
author |
magazine |
year |
volume |
issue |
page(s) |
type |
| 1 |
Ab initio studies on the decomposition kinetics of CF3OCF2O radical
|
Singh, Hari Ji
|
|
2010
|
17 |
3 |
p. 415-422
|
article
|
| 2 |
A computational study of atomic oxygen-doped silicon carbide nanotubes
|
Mirzaei, Maryam
|
|
2010
|
17 |
3 |
p. 527-531
|
article
|
| 3 |
Antitumor activity of bent metallocenes: electronic structure analysis using DFT computations
|
Senthilnathan, Dhurairajan
|
|
2010
|
17 |
3 |
p. 465-475
|
article
|
| 4 |
Computational simulations of structural role of the active-site W374C mutation of acetyl-coenzyme-A carboxylase: Multi-drug resistance mechanism
|
Zhu, Xiao-Lei
|
|
2010
|
17 |
3 |
p. 495-503
|
article
|
| 5 |
DFT investigation on the reaction mechanism catalyzed by α-phosphomannomutase1 in protonated/deprotonated states
|
Chu, Hui-Ying
|
|
2010
|
17 |
3 |
p. 577-585
|
article
|
| 6 |
Dimerization of miniature C20 and C28 fullerenes in nanoautoclave
|
Glukhova, Olga E.
|
|
2010
|
17 |
3 |
p. 573-576
|
article
|
| 7 |
Discovery of new β-d-glucosidase inhibitors via pharmacophore modeling and QSAR analysis followed by in silico screening
|
Khalaf, Reema Abu
|
|
2010
|
17 |
3 |
p. 443-464
|
article
|
| 8 |
dockYard–a repository to assist modeling of protein-protein docking
|
Mitra, Pralay
|
|
2010
|
17 |
3 |
p. 599-606
|
article
|
| 9 |
Insights into subtype selectivity of opioid agonists by ligand-based and structure-based methods
|
Cheng, Jianxin
|
|
2010
|
17 |
3 |
p. 477-493
|
article
|
| 10 |
Metals in proteins: cluster analysis studies
|
Tamames, Juan A. C.
|
|
2010
|
17 |
3 |
p. 429-442
|
article
|
| 11 |
Modeling and analysis of the compatibility of polystyrene/poly(methyl methacrylate) blends with four inducing effects
|
Mu, Dan
|
|
2010
|
17 |
3 |
p. 607-619
|
article
|
| 12 |
Molecular dynamics simulation of oseltamivir resistance in neuraminidase of avian influenza H5N1 virus
|
Shu, Mao
|
|
2010
|
17 |
3 |
p. 587-592
|
article
|
| 13 |
Molecular dynamics studies of the 3D structure and planar ligand binding of a quadruplex dimer
|
Li, Ming-Hui
|
|
2010
|
17 |
3 |
p. 515-526
|
article
|
| 14 |
Molecular modeling of lanthionine synthetase component C-like protein 2: a potential target for the discovery of novel type 2 diabetes prophylactics and therapeutics
|
Lu, Pinyi
|
|
2010
|
17 |
3 |
p. 543-553
|
article
|
| 15 |
Molecular trigger for pre-transfer editing pathway in Valyl-tRNA synthetase: A molecular dynamics simulation study
|
Li, Li
|
|
2010
|
17 |
3 |
p. 555-564
|
article
|
| 16 |
Natural bond orbital approach to the transmission of substituent effect through the fulvene and benzene ring systems
|
Oziminski, Wojciech P.
|
|
2010
|
17 |
3 |
p. 565-572
|
article
|
| 17 |
Near-field enhancement of infrared intensities for f-f transitions in Er3+ ions close to the surface of silicon nanoparticles
|
Borowska, Lesya
|
|
2010
|
17 |
3 |
p. 423-428
|
article
|
| 18 |
Structural and docking studies of Leucaena leucocephala Cinnamoyl CoA reductase
|
Prasad, Nirmal K.
|
|
2010
|
17 |
3 |
p. 533-541
|
article
|
| 19 |
The adsorption of mercury-species on relaxed and rumpled CaO (0 0 1) surfaces investigated by density functional theory
|
Blowers, Paul
|
|
2010
|
17 |
3 |
p. 505-514
|
article
|
| 20 |
Theoretical study of the hydrogen abstraction from vitamin-E analogues. The usefulness of DFT descriptors
|
Gutiérrez-Oliva, Soledad
|
|
2010
|
17 |
3 |
p. 593-598
|
article
|
Journal description