| 1 |
Origin of the pK(a) perturbation of N-terminal cysteine in alpha- and 3(10)-helices: A computational DFT study
Roos G, Loverix S, Geerlings P
Journal of Physical Chemistry B, 110(1), 557, 2006 |
| 2 |
Interplay between pi-pi interactions and the H-bonding ability of aromatic nitrogen bases
Mignon P, Loverix S, Geerlings P
Chemical Physics Letters, 401(1-3), 40, 2005 |
| 3 |
Influence of stacking on hydrogen bonding: Quantum chemical study on pyridine-benzene model complexes
Mignon P, Loverix S, De Proft F, Geerlings P
Journal of Physical Chemistry A, 108(28), 6038, 2004 |
| 4 |
A computational and conceptual DFT study on the Michaelis complex of pI258 arsenate reductase. Structural aspects and activation of the electrophile and nucleophile
Roos G, Messens J, Loverix S, Wyns L, Geerlings P
Journal of Physical Chemistry B, 108(44), 17216, 2004 |
| 5 |
A computational and conceptual DFT study of the reactivity of anionic compounds: Implications for enzymatic catalysis
Roos G, Loverix S, De Proft F, Wyns L, Geerlings P
Journal of Physical Chemistry A, 107(35), 6828, 2003 |
