Daniel Vercauteren
Affiliations: | 1981 | Université de Namur |
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Parents
Sign in to add mentor| Jean-Marie André | grad student | 1981 | Université de Namur |
| Enrico Clementi | post-doc |
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Publications
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| Angladon MA, Fossépré M, Leherte L, et al. (2019) Interaction of POPC, DPPC, and POPE with the μ opioid receptor: A coarse-grained molecular dynamics study. Plos One. 14: e0213646 |
| Fossépré M, Leherte L, Laaksonen A, et al. (2016) Multiscale design of coarse-grained elastic network-based potentials for the μ opioid receptor. Journal of Molecular Modeling. 22: 227 |
| Fossépré M, Leherte L, Laaksonen A, et al. (2014) On the modularity of the intrinsic flexibility of the µ opioid receptor: a computational study. Plos One. 9: e115856 |
| Hubin PO, Jacquemin D, Leherte L, et al. (2012) Ab initio quantum chemical and ReaxFF-based study of the intramolecular iminium–enamine conversion in a proline-catalyzed reaction Theoretical Chemistry Accounts. 131: 1261 |
| Jacquemin D, Preat J, Perpète EA, et al. (2011) Absorption spectra of azobenzenes simulated with time-dependent density functional theory International Journal of Quantum Chemistry. 111: 4224-4240 |
| Lucas AA, Derycke I, Lambin P, et al. (2009) Confinement in molecular sieves: The pioneering physical concepts Journal of Molecular Catalysis a: Chemical. 305: 16-23 |
| Vercauteren DP, Clementi E. (2009) Photoionization spectra of B-DNA and Z-DNA International Journal of Quantum Chemistry. 24: 11-30 |
| Clementi E, Corongiu G, Gratarola M, et al. (2009) Theoretical and computational chemistry of complex systems: Solvation of DNA and proteins International Journal of Quantum Chemistry. 22: 409-433 |
| André J, Jacquemin D, Perpete EA, et al. (2008) Assessment Of The Accuracy Of Td-Dft Absorption Spectra: Substituted Benzenes Collection of Czechoslovak Chemical Communications. 73: 898-908 |
| Larin A, Mortier W, Vercauteren D. (2007) Quick Scheme for Evaluation of Atomic Charges in Arbitrary Aluminophosphate Sieves on the Basis of Electron Densities Calculated with DFT Methods Journal of Computational Chemistry. 28: 1695-1703 |