| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio computational insight into the ion-pair SN2 reaction of lithium isothiocyanate and methyl fluoride in the gas phase and in acetone solution
|
Ren, Yi
|
|
2005
|
12 |
2 |
p. 182-189
|
artikel
|
| 2 |
Ab initio construction of all-atom loop conformations
|
Jiang, Haiyan
|
|
2005
|
12 |
2 |
p. 221-228
|
artikel
|
| 3 |
A computational analysis of ordering in ABCHN at the nematic–isotropic transition
|
Ojha, Durga Prasad
|
|
2005
|
12 |
2 |
p. 161-167
|
artikel
|
| 4 |
A fold-recognition approach to loop modeling
|
Levefelt, Christer
|
|
2005
|
12 |
2 |
p. 125-139
|
artikel
|
| 5 |
An ab initio study of the guanidinium groups in saxitoxin
|
Sapse, Anne-Marie
|
|
2005
|
12 |
2 |
p. 140-145
|
artikel
|
| 6 |
DFT study of the gas phase proton transfer in guanine assisted by water, methanol, and hydrogen peroxide
|
Delchev, Vassil B.
|
|
2005
|
12 |
2 |
p. 229-236
|
artikel
|
| 7 |
Linear and nonlinear modeling of antifungal activity of some heterocyclic ring derivatives using multiple linear regression and Bayesian-regularized neural networks
|
Caballero, Julio
|
|
2005
|
12 |
2 |
p. 168-181
|
artikel
|
| 8 |
Numerical treatment of two-center overlap integrals
|
Safouhi, Hassan
|
|
2005
|
12 |
2 |
p. 213-220
|
artikel
|
| 9 |
Ordering of p–n-alkoxybenzoic acids at phase transition temperatures: a comparative computational analysis
|
Ajeetha, Narayanan
|
|
2005
|
12 |
2 |
p. 152-160
|
artikel
|
| 10 |
Role of hydrophobic interactions and salt-bridges in β-hairpin folding
|
Seshasayee, Aswin Sai Narain
|
|
2005
|
12 |
2 |
p. 197-204
|
artikel
|
| 11 |
Syn- and anti-conformations of 5′-deoxy- and 5′-O-methyl-uridine 2′,3′-cyclic monophosphate
|
Grabarkiewicz, Tomasz
|
|
2005
|
12 |
2 |
p. 205-212
|
artikel
|
| 12 |
Theoretical study of DHEA: comparative HF and DFT calculations of the electronic properties of a complex between DHEA and serotonin
|
Lerner, Dan A.
|
|
2005
|
12 |
2 |
p. 146-151
|
artikel
|
| 13 |
The reaction of the aminoboranylidene-iminoborane isomerization: a CASSCF direct dynamics study
|
Zhang, Jian-Guo
|
|
2005
|
12 |
2 |
p. 190-196
|
artikel
|
| 14 |
Three-dimensional structure of the catalytic domain of the yeast β-(1,3)-glucan transferase Gas1: a molecular modeling investigation
|
Papaleo, Elena
|
|
2005
|
12 |
2 |
p. 237-248
|
artikel
|
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