| no |
title |
author |
magazine |
year |
volume |
issue |
page(s) |
type |
| 1 |
A global resource for computational chemistry
|
Murray-Rust, Peter
|
|
2005
|
11 |
6 |
p. 532-541
|
article
|
| 2 |
AM1* parameters for aluminum, silicon, titanium and zirconium
|
Winget, Paul
|
|
2005
|
11 |
6 |
p. 439-456
|
article
|
| 3 |
Comparative analysis of different competitive antagonists interaction with NR2A and NR2B subunits of N-methyl-D-aspartate (NMDA) ionotropic glutamate receptor
|
Blaise, Mathias-Costa
|
|
2005
|
11 |
6 |
p. 489-502
|
article
|
| 4 |
Computational study of a transition state analog of phosphoryl transfer in the Ras–RasGAP complex: AlFx versus MgF3–
|
Grigorenko, Bella L.
|
|
2005
|
11 |
6 |
p. 503-508
|
article
|
| 5 |
Exploring 3D-QSAR of thiazole and thiadiazole derivatives as potent and selective human adenosine A3 receptor antagonists+
|
Bhattacharya, Prosenjit
|
|
2005
|
11 |
6 |
p. 516-524
|
article
|
| 6 |
H-bonded complexes between acetylacetone and two molecules of methanol: HF and DFT level study
|
Delchev, Vassil B
|
|
2005
|
11 |
6 |
p. 474-480
|
article
|
| 7 |
Hierarchic system of QSAR models (1D–4D) on the base of simplex representation of molecular structure
|
Kuz’min, Victor E.
|
|
2005
|
11 |
6 |
p. 457-467
|
article
|
| 8 |
Infrared and Raman spectra and vibrational analyses calculated with Moeller–Plesset perturbation theory of second order of nitrosoethylene and its chloro-derivatives
|
Förner, Wolfgang
|
|
2005
|
11 |
6 |
p. 542-550
|
article
|
| 9 |
Molecular modeling of phosphorylation sites in proteins using a database of local structure segments
|
Plewczynski, Dariusz
|
|
2005
|
11 |
6 |
p. 431-438
|
article
|
| 10 |
Predicted consequences of site-directed mutagenesis and the impact of species variation on prion protein misfolding through the N-terminal domain
|
Molloy, David P
|
|
2005
|
11 |
6 |
p. 468-473
|
article
|
| 11 |
Structure prediction of a multi-domain EF-hand Ca2+ binding protein by PROPAINOR
|
Jyothi, Subramanian
|
|
2005
|
11 |
6 |
p. 481-488
|
article
|
| 12 |
Study of a ligand complexed with Cdk2/Cdk4 by computer simulation
|
Jiang, Yongjun
|
|
2005
|
11 |
6 |
p. 509-515
|
article
|
| 13 |
Topochemical models for prediction of cyclin-dependent kinase 2 inhibitory activity of indole-2-ones
|
Dureja, Harish
|
|
2005
|
11 |
6 |
p. 525-531
|
article
|
| 14 |
Topochemical models for prediction of cyclin-dependent kinase 2 inhibitory activity of indole-2-ones
|
Dureja, Harish
|
|
|
11 |
6 |
p. 525-531
|
article
|
Journal description