Projects per year
Personal profile
External responsibilities
Awards
Diplomas
External responsibilities
Awards
Diplomas
Education/Academic qualification
Doctor of Science, A non-empirical LCAO-MO-SCF study of cyclic or linear oxocarbons. jury, University of Namur
Award Date: 30 Jun 1981
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Dive into the research topics where Daniel Vercauteren is active. These topic labels come from the works of this person. Together they form a unique fingerprint.
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Collaborations and top research areas from the last five years
Recent external collaboration on country/territory level. Dive into details by clicking on the dots or
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Elucidation of various mechanisms of rotational constraints in rotaxane-like systems by molecular mechanics and molecular dynamics
Vercauteren, D. (PI) & Poncin, A. (Researcher)
1/10/07 → …
Project: PHD
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Multiresolution analysis of electron density maps
Leherte, L. (PI), Vercauteren, D. (PI) & Meurice, N. (Researcher)
1/09/95 → …
Project: Research
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Topological analysis of protein electron density maps
Leherte, L. (PI), Vercauteren, D. (PI) & Biname, J. (Researcher)
30/09/91 → …
Project: Research
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DoIFAD: Design Of peptide Inhibitors Fighting Autoimmune Disease
Leherte, L. (PI), Laurent, A. D. (PI), Vercauteren, D. (CoI) & Jacquemin, D. (CoI)
1/01/18 → 31/12/19
Project: Research
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Etude théorique de l'auto-assemblage de récepteurs opioïdes par des méthodes hybrides afin d’élaborer des ligands bitopiques
COSQUER, R. (PI), Vercauteren, D. (Supervisor) & Leherte, L. (Supervisor)
1/10/15 → 1/10/17
Project: Research
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Identification of Potential Inhibitors of Plasmodium Falciparum L-Lactate Dehydrogenase from Selected African Compound Libraries: Virtual Screening, Molecular Mechanics-Generalized Born Surface Area, and Molecular Dynamics Studies
Mbah, M. B., Tsahnang Fofack, H. M., Nadia, N. F. J., Ntie-Kang, F., Vercauteren, D. P., Ndassa Mboumbouo, I., Mohammad-Salim, H. A. & de Julian-Ortiz, J. V., Sept 2025, In: Chemistry & biodiversity. 22, 9, 13 p., e01004.Research output: Contribution to journal › Article › peer-review
Open Access -
Unlocking Potential Natural Products from African Sources Targeting Overexpressed Estrogen Receptor Alpha (ERalpha) in Breast Cancer: in Silico Studies
Mbah, M. B., Tsahnang Fofack, H. M., Wafae, A., Ntie-Kang, F., Bebga, G., Ndassa Mboumbouo, I., Vercauteren, D. P., Mohammad-Salim, H. A. & de Julian-Ortiz, J. V., 19 Feb 2025, In: Computational and Structural Biotechnology Reports. 2, 11 p., 100033.Research output: Contribution to journal › Article › peer-review
Open AccessFile -
Higher Catalytic Activity of Pd Monolayers Versus Single PD Atoms at Different Anatase Facets
Rybakov, A. A., Larin, A. V., Vercauteren, D. P. & Todorova, S., Dec 2024, In: Catalysts. 14, 12, 932.Research output: Contribution to journal › Article › peer-review
Open AccessFile9 Downloads (Pure) -
Comparing Cosine and Sine Functions for Calculating the Magnetic Shielding of 29Si Nuclei across Siliceous Zeolites
Rybakov, A. A., Vercauteren, D. P. & Larin, A. V., 21 Dec 2023, In: Journal of Physical Chemistry C: Nanomaterials and interfaces. 127, 50, p. 24324-24338 15 p.Research output: Contribution to journal › Article › peer-review
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Periodic DFT Computation of Rotational Barriers for Linear Molecules in Zeolites: Validation via Zero-Point Energies and Isotopic Heat Difference Values of Adsorbed H2/D2
Rybakov, A., Trubnikov, D. N., Vercauteren, D. & Larin, A., 15 Jan 2023, In: Materials Chemistry and Physics . 294, 12 p., 126929.Research output: Contribution to journal › Review article › peer-review
Activities
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Université de Nantes
LEHERTE, L. (Visiting researcher) & Vercauteren, D. (Visiting researcher)
9 Dec 2019 → 13 Dec 2019Activity: Visiting an external institution types › Research/Teaching in a external institution
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Université de Nantes
Leherte, L. (Visiting researcher) & Vercauteren, D. (Visiting researcher)
2 Jul 2019 → 6 Jul 2019Activity: Visiting an external institution types › Visiting an external academic institution
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Université de Nantes
Leherte, L. (Visiting researcher) & Vercauteren, D. (Visiting researcher)
16 Dec 2018 → 20 Dec 2018Activity: Visiting an external institution types › Visiting an external academic institution
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Université de Nantes
Leherte, L. (Visiting researcher) & Vercauteren, D. (Visiting researcher)
3 Jul 2018 → 7 Jul 2018Activity: Visiting an external institution types › Visiting an external academic institution
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Influence of Protein-Solvent Interactions on the Molecular Dynamics of Reduced Point Charge Models of Proteins - COMP5
Leherte, L. (Speaker) & Vercauteren, D. (Speaker)
18 Mar 2018Activity: Talk or presentation types › Oral presentation