| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A comparative proteomic approach to analyse structure, function and evolution of rice chitinases: a step towards increasing plant fungal resistance
|
Sarma, Kishore
|
|
2012
|
18 |
11 |
p. 4761-4780
|
artikel
|
| 2 |
Application of docking-based comparative intermolecular contacts analysis to validate Hsp90α docking studies and subsequent in silico screening for inhibitors
|
Al-Sha’er, Mahmoud A.
|
|
2012
|
18 |
11 |
p. 4843-4863
|
artikel
|
| 3 |
Binding effects of Mn2+ and Zn2+ ions on the vibrational properties of guanine-cytosine base pairs in the Watson-Crick and Hoogsteen configurations
|
Morari, Cristian
|
|
2012
|
18 |
11 |
p. 4781-4786
|
artikel
|
| 4 |
Charge transfer in TATB and HMX under extreme conditions
|
Zhang, Chaoyang
|
|
2012
|
18 |
11 |
p. 4831-4841
|
artikel
|
| 5 |
Computational investigation of the adsorption of carbon dioxide onto zirconium oxide clusters
|
Boulet, Pascal
|
|
2012
|
18 |
11 |
p. 4819-4830
|
artikel
|
| 6 |
Computational study of Au_4 cluster on a carbon nanotube with and without defects using QM/MM methodology
|
Barraza-Jimenez, Diana
|
|
2012
|
18 |
11 |
p. 4885-4891
|
artikel
|
| 7 |
Conformational dynamics of threonine 195 and the S1 subsite in functional trypsin variants
|
Gokey, Trevor
|
|
2012
|
18 |
11 |
p. 4941-4954
|
artikel
|
| 8 |
Correlation between biological activity and binding energy in systems of integrin with cyclic RGD-containing binders: a QM/MM molecular dynamics study
|
Xiang, Mingli
|
|
2012
|
18 |
11 |
p. 4917-4927
|
artikel
|
| 9 |
Dehydration of a polyether type extraction agent and of the corresponding K+ complex: insights into liquid-liquid extraction mechanisms by quantum chemical methods
|
Valente, Mário
|
|
2012
|
18 |
11 |
p. 4909-4915
|
artikel
|
| 10 |
Effect of dehydrogenation/hydrogenation on the linear and nonlinear optical properties of Li@porphyrins
|
Wu, Heng-Qing
|
|
2012
|
18 |
11 |
p. 4901-4907
|
artikel
|
| 11 |
Quantum chemical study in the direction to design efficient donor-bridge-acceptor triphenylamine sensitizers with improved electron injection
|
Irfan, Ahmad
|
|
2012
|
18 |
11 |
p. 4893-4900
|
artikel
|
| 12 |
Structural insights into interacting mechanism of ID1 protein with an antagonist ID1/3-PA7 and agonist ETS-1 in treatment of ovarian cancer: molecular docking and dynamics studies
|
Muthu, Kannan
|
|
2012
|
18 |
11 |
p. 4865-4884
|
artikel
|
| 13 |
Theoretical study on the mechanism of cycloaddition reaction between silylene silylene(H2Si=Si:) and acetaldehyde
|
Lu, Xiuhui
|
|
2012
|
18 |
11 |
p. 4787-4795
|
artikel
|
| 14 |
Thermal conductivity of silicon and carbon hybrid monolayers: a molecular dynamics study
|
Wang, Lin
|
|
2012
|
18 |
11 |
p. 4811-4818
|
artikel
|
| 15 |
The structural, electronic, and optical properties of ladder-type polyheterofluorenes: a theoretical study
|
Zheng, Chao
|
|
2012
|
18 |
11 |
p. 4929-4939
|
artikel
|
| 16 |
Validation of computational approach to study monomer selectivity toward the template Gallic acid for rational molecularly imprinted polymer design
|
Pardeshi, Sushma
|
|
2012
|
18 |
11 |
p. 4797-4810
|
artikel
|
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