| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A computational study of the mechanism of the unimolecular elimination of α,β-unsaturated aldehydes in the gas phase
|
Erastova, Valentina
|
|
2010
|
17 |
1 |
p. 21-26
|
artikel
|
| 2 |
A leucine-rich repeat assembly approach for homology modeling of the human TLR5-10 and mouse TLR11-13 ectodomains
|
Wei, Tiandi
|
|
2010
|
17 |
1 |
p. 27-36
|
artikel
|
| 3 |
Anthranilate derivatives as TACE inhibitors: Docking based CoMFA and CoMSIA analyses
|
Bahia, Malkeet Singh
|
|
2010
|
17 |
1 |
p. 9-19
|
artikel
|
| 4 |
Atomistic modeling of apatite-collagen composites from molecular dynamics simulations extended to hyperspace
|
Duchstein, Patrick
|
|
2010
|
17 |
1 |
p. 73-79
|
artikel
|
| 5 |
Binding Selectivity of RecA to a single stranded DNA, a computational approach
|
Carra, Claudio
|
|
2010
|
17 |
1 |
p. 133-150
|
artikel
|
| 6 |
Carbon doped boron phosphide nanotubes: A computational study
|
Mirzaei, Mahmoud
|
|
2010
|
17 |
1 |
p. 89-96
|
artikel
|
| 7 |
Computational characterization of how the VX nerve agent binds human serum paraoxonase 1
|
Fairchild, Steven Z.
|
|
2010
|
17 |
1 |
p. 97-109
|
artikel
|
| 8 |
Conformational analysis of piperazine and piperidine analogs of GBR 12909: stochastic approach to evaluating the effects of force fields and solvent
|
Pandit, Deepangi
|
|
2010
|
17 |
1 |
p. 181-200
|
artikel
|
| 9 |
3D-QSAR studies on caspase-mediated apoptosis activity of phenolic analogues
|
Wang, Yuanqiang
|
|
2010
|
17 |
1 |
p. 1-8
|
artikel
|
| 10 |
Electropolymerization of 3′,4′-disubstituted 2,2′:5′,2″-terthiophene derivatives. A theoretical and photovoltaic characterization
|
Vélez, Jorge H.
|
|
2010
|
17 |
1 |
p. 81-88
|
artikel
|
| 11 |
Equivalent potential of water for the electronic structure of glycine
|
Peng, Min
|
|
2010
|
17 |
1 |
p. 111-124
|
artikel
|
| 12 |
Experimental and theoretical investigations on the structure-properties interrelationship of the gadolinium-vanadate-germanate glasses
|
Rada, Simona
|
|
2010
|
17 |
1 |
p. 165-171
|
artikel
|
| 13 |
Hydroxyl group as a substituent with varying electronic properties: Effect of strength of H-bonding on charge density changes in Ph–OH…F− complexes
|
Szatyłowicz, Halina
|
|
2010
|
17 |
1 |
p. 125-131
|
artikel
|
| 14 |
Ligand-based and structure-based approaches in identifying ideal pharmacophore against c-Jun N-terminal kinase-3
|
Kumar, B. V. S. Suneel
|
|
2010
|
17 |
1 |
p. 151-163
|
artikel
|
| 15 |
Molecular modeling of 4-methylphthalonitrile for dye sensitized solar cells using quantum chemical calculations
|
Senthilkumar, Palanivel
|
|
2010
|
17 |
1 |
p. 49-58
|
artikel
|
| 16 |
Open3DQSAR: a new open-source software aimed at high-throughput chemometric analysis of molecular interaction fields
|
Tosco, Paolo
|
|
2010
|
17 |
1 |
p. 201-208
|
artikel
|
| 17 |
Optimal molecular structures of prion AGAAAAGA amyloid fibrils formatted by simulated annealing
|
Zhang, Jiapu
|
|
2010
|
17 |
1 |
p. 173-179
|
artikel
|
| 18 |
Structure and dynamics of human vimentin intermediate filament dimer and tetramer in explicit and implicit solvent models
|
Qin, Zhao
|
|
2010
|
17 |
1 |
p. 37-48
|
artikel
|
| 19 |
Urocanic acid as an efficient hydroxyl radical scavenger: a quantum theoretical study
|
Tiwari, Saumya
|
|
2010
|
17 |
1 |
p. 59-72
|
artikel
|
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