| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Automated docking of estrogens and SERMs into an estrogen receptor alpha and beta isoform using the PMF forcefield and the Lamarckian genetic algorithm
|
Kiss, G.
|
|
2006
|
117 |
2 |
p. 305-314
|
artikel
|
| 2 |
Computational Study of Supramolecular Bis-porphyrin “Molecular Tweezers”
|
Margetić, Davor
|
|
2006
|
117 |
2 |
p. 239-245
|
artikel
|
| 3 |
Computing relative stabilities of metallofullerenes by Gibbs energy treatments
|
Slanina, Zdeněk
|
|
2006
|
117 |
2 |
p. 315-322
|
artikel
|
| 4 |
Differences in electrostatic potential around DNA fragments containing guanine and 8-oxo-guanine
|
Harańczyk, Maciej
|
|
2006
|
117 |
2 |
p. 291-296
|
artikel
|
| 5 |
Lewis acid sites in boralites
|
Tikhii, Ya. V.
|
|
2006
|
117 |
2 |
p. 201-205
|
artikel
|
| 6 |
Metal Binding Induced Conformational Interconversions in Methyl ß-D-xylopyranoside
|
Fabian, Walter M. F.
|
|
2006
|
117 |
2 |
p. 223-229
|
artikel
|
| 7 |
Molecular dynamics simulation of the preferred conformations of 2-thiouridine in aqueous solution
|
Lahiri, Ansuman
|
|
2006
|
117 |
2 |
p. 267-273
|
artikel
|
| 8 |
Molecular Dynamics Simulations of Proteins with Chemically Modified Disulfide Bonds
|
Godwin, Antony
|
|
2006
|
117 |
2 |
p. 259-265
|
artikel
|
| 9 |
Natural resonance structures and aromaticity of the nucleobases
|
Sun, Guangyu
|
|
2006
|
117 |
2 |
p. 323-332
|
artikel
|
| 10 |
Nonlinear transformation methods for accelerating the convergence of Coulomb integrals over exponential type functions
|
Safouhi, Hassan
|
|
2006
|
117 |
2 |
p. 213-222
|
artikel
|
| 11 |
Oxygen diffusion in minihemoglobin from Cerebratulus lacteus: a locally enhanced sampling study
|
Orlowski, Slawomir
|
|
2006
|
117 |
2 |
p. 253-258
|
artikel
|
| 12 |
Probing the structural effects on the intrinsic electronic and redox properties of [2Fe–2S]+ clusters, a broken-symmetry density functional theory study
|
Niu, Shuqiang
|
|
2006
|
117 |
2 |
p. 275-281
|
artikel
|
| 13 |
Proceedings of the 10th Electronic Computational Chemistry Conference
|
Topper, Robert Q.
|
|
2006
|
117 |
2 |
p. 183
|
artikel
|
| 14 |
QM/MM: what have we learned, where are we, and where do we go from here?
|
Lin, Hai
|
|
2006
|
117 |
2 |
p. 185-199
|
artikel
|
| 15 |
Quantum Chemical Studies on Structure Activity Relationship of Natural Product Polyacetylenes
|
Zloh, Mire
|
|
2006
|
117 |
2 |
p. 247-252
|
artikel
|
| 16 |
Relative Raman Intensities in C6H6, C6D6, and C6F6: A Comparison of Different Computational Methods
|
Williams, Stephen D.
|
|
2006
|
117 |
2 |
p. 283-290
|
artikel
|
| 17 |
Study of H-bond characteristics in sub- and supercritical methanol
|
Krishtal, S.
|
|
2006
|
117 |
2 |
p. 297-304
|
artikel
|
| 18 |
The Application of Composite Energy Methods to n-butyl Radical β-scission Reaction Kinetic Estimations
|
Zheng, Xiaobo
|
|
2006
|
117 |
2 |
p. 207-212
|
artikel
|
| 19 |
The Role of Small Molecule–small Molecule Interactions in Overcoming Biological Barriers for Antibacterial Drug Action
|
Zloh, Mire
|
|
2006
|
117 |
2 |
p. 231-238
|
artikel
|
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