| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A molecular-dynamics simulation study of diffusion of a single model carbonic chain on a graphite (001) surface
|
Yang, Hua
|
|
2005
|
12 |
4 |
p. 432-435
|
artikel
|
| 2 |
An unusual feature of end-substituted model carbon (6,0) nanotubes
|
Politzer, Peter
|
|
2006
|
12 |
4 |
p. 528
|
artikel
|
| 3 |
A study on chirality in biomolecules: the effect of the exchange of l amino acids to d ones in Sso7d ribonuclease
|
Ladik, János J.
|
|
2006
|
12 |
4 |
p. 462-467
|
artikel
|
| 4 |
A theoretical model of Aquifex pyrophilus flagellin: implications for its thermostability
|
Malapaka, V. Raghu Ram
|
|
2006
|
12 |
4 |
p. 481-493
|
artikel
|
| 5 |
Calculation of polyamides melting point by quantum-chemical method and BP artificial neural networks
|
Gao, Jinwei
|
|
2006
|
12 |
4 |
p. 521-527
|
artikel
|
| 6 |
Characterization of protein matrix motions in the Rb. sphaeroides photosynthetic reaction center
|
Stoica, Ileana
|
|
2005
|
12 |
4 |
p. 468-480
|
artikel
|
| 7 |
Density functional computations of enantioselective alkynylation of aldehyde catalyzed by chiral zinc(II)-complexes
|
Meng, Qingxi
|
|
2006
|
12 |
4 |
p. 494-502
|
artikel
|
| 8 |
Investigation of the binding mode of (−)-meptazinol and bis-meptazinol derivatives on acetylcholinesterase using a molecular docking method
|
Xie, Qiong
|
|
2006
|
12 |
4 |
p. 390-397
|
artikel
|
| 9 |
Lanthanide complex coordination polyhedron geometry prediction accuracies of ab initio effective core potential calculations
|
Freire, Ricardo O.
|
|
2006
|
12 |
4 |
p. 373-389
|
artikel
|
| 10 |
Mesoscopic simulation study on a weakly charged block polyelectrolyte in aqueous solution
|
Yuan, Shi-Ling
|
|
2005
|
12 |
4 |
p. 406-410
|
artikel
|
| 11 |
Modeling study of the influences of the aromatic transitions and the local environment on the far-UV rotational strengths in TEM-1 β-lactamase
|
Christov, Christo
|
|
2005
|
12 |
4 |
p. 411-416
|
artikel
|
| 12 |
Prediction of polyamide properties using quantum-chemical methods and BP artificial neural networks
|
Gao, Jinwei
|
|
2006
|
12 |
4 |
p. 513-520
|
artikel
|
| 13 |
QSAR for anti-malarial activity of 2-aziridinyl and 2,3-bis(aziridinyl)-1,4-naphthoquinonyl sulfonate and acylate derivatives
|
Zahouily, Mohamed
|
|
2005
|
12 |
4 |
p. 398-405
|
artikel
|
| 14 |
QSAR for anti-malarial activity of 2-aziridinyl and 2,3-bis(aziridinyl)-1,4-naphthoquinonyl sulfonate and acylate derivatives
|
Zahouily, Mohamed
|
|
|
12 |
4 |
p. 398-405
|
artikel
|
| 15 |
QSPR analysis for infinite dilution activity coefficients of organic compounds
|
Tämm, Kaido
|
|
2005
|
12 |
4 |
p. 417-421
|
artikel
|
| 16 |
Reparameterized Austin Model 1 for quantitative structure–property relationships in liquid media
|
Dobchev, Dimitar A.
|
|
2006
|
12 |
4 |
p. 503-512
|
artikel
|
| 17 |
Study on improving the selectivity of compounds that inhibit two PI3Ks (gamma and delta)
|
Kuang, Rong-Ren
|
|
2006
|
12 |
4 |
p. 445-452
|
artikel
|
| 18 |
Support-vector-machine classification of linear functional motifs in proteins
|
Plewczynski, Dariusz
|
|
2005
|
12 |
4 |
p. 453-461
|
artikel
|
| 19 |
The effect of a tightly bound water molecule on scaffold diversity in the computer-aided de novo ligand design of CDK2 inhibitors
|
García-Sosa, Alfonso T.
|
|
2005
|
12 |
4 |
p. 422-431
|
artikel
|
| 20 |
The environment of amide groups in protein–ligand complexes: H-bonds and beyond
|
Cotesta, Simona
|
|
2005
|
12 |
4 |
p. 436-444
|
artikel
|
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