| no |
title |
author |
magazine |
year |
volume |
issue |
page(s) |
type |
| 1 |
Cisplatin interaction with amino acids cysteine and methionine from gas phase to solutions with constant pH
|
Zimmermann, Tomáš
|
|
2010
|
2 |
1 |
p. 98-114
|
article
|
| 2 |
Computer simulations of quantum tunnelling in enzyme-catalysed hydrogen transfer reactions
|
Ranaghan, Kara E.
|
|
2010
|
2 |
1 |
p. 78-97
|
article
|
| 3 |
DFT study of a model system for the dealkylation step catalyzed by AlkB
|
Cisneros, G. Andrés
|
|
2010
|
2 |
1 |
p. 70-77
|
article
|
| 4 |
Editorial: Special issue on quantum mechanical modeling of biological systems
|
Piquemal, Jean-Philip
|
|
2010
|
2 |
1 |
p. 1-2
|
article
|
| 5 |
Effect of the Enhanced Cyan Fluorescent Protein framework on the UV/visible absorption spectra of some chromophores
|
Laurent, Adèle D.
|
|
2010
|
2 |
1 |
p. 38-47
|
article
|
| 6 |
Estimates of ligand-binding affinities supported by quantum mechanical methods
|
Söderhjelm, Pär
|
|
2010
|
2 |
1 |
p. 21-37
|
article
|
| 7 |
Looking for homochirality in the inter-stellar medium
|
Marloie, G.
|
|
2010
|
2 |
1 |
p. 48-56
|
article
|
| 8 |
Na+, K+ and Tl+ hydration from QM/MM computations and MD simulations with a polarizable force field
|
Lev, Bogdan B.
|
|
2010
|
2 |
1 |
p. 12-20
|
article
|
| 9 |
On the metal ion (Zn2+, Cu2+) coordination with beta-amyloid peptide: DFT computational study
|
Marino, T.
|
|
2010
|
2 |
1 |
p. 57-69
|
article
|
| 10 |
Study of the docking of competitive inhibitors at a model of tyrosinase active site: Insights from joint broken-symmetry/spin-flip DFT computations and ELF topological analysis
|
Lande, A. de la
|
|
2010
|
2 |
1 |
p. 3-11
|
article
|
| 11 |
Theoretical QM/MM studies of enzymatic pericyclic reactions
|
Martí, S.
|
|
2010
|
2 |
1 |
p. 115-131
|
article
|
Journal description