Projects per year
Personal profile
External responsibilities
Awards
Diplomas
External responsibilities
Awards
Diplomas
Expertise related to UN Sustainable Development Goals
In 2015, UN member states agreed to 17 global Sustainable Development Goals (SDGs) to end poverty, protect the planet and ensure prosperity for all. This person’s work contributes towards the following SDG(s):
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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Molecular Dynamics simulations of energetic, structural, and dynamical properties of proteins in micellar medium
Leherte, L. (Researcher), Michaux, C. (Researcher) & Vercauteren, D. (CoI)
1/10/07 → …
Project: Research
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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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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
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Structure-Based Identification of Inhibitors Disrupting the CD2-CD58 Interactions
Tripathi, N., Leherte, L., Vercauteren, D. & Laurent, A. D., Mar 2021, In: Journal of computer-aided molecular design. 35, 3, p. 337-353 17 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile98 Downloads (Pure) -
Influence of Oxide Support on Pd Properties: A Gain for O Diffusion versus Minor Impact on CH4 Dissociation: A Gain for O Diffusion versus minor Impact for CH4 Dissociation
Rybakov, A., Bryukhanov, I. A., Larin, A., Todorova, S. Z., Vercauteren, D. & ZHIDOMIROV, G., 2020, In: Catalysis Today. 357, p. 368-379 12 p.Research output: Contribution to journal › Article › peer-review
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Interaction of POPC, DPPC, and POPE with the μ Opioid Receptor: A Coarse-Grained Molecular Dynamics Study
Angladon, M.-A., Fossépré, M., Leherte, L. & Vercauteren, D., 1 Mar 2019, In: PLoS ONE. 14, 3, p. e0213646 19 p., e0213646.Research output: Contribution to journal › Article › peer-review
Open Access
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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Intrinsic Flexibility of the μ Opioid Receptor through Multiscale Modelling Approaches - COMP403
Vercauteren, D. (Invited speaker), Fossepre, M. (Speaker), Leherte, L. (Speaker) & Laaksonen, A. (Speaker)
21 Mar 2018Activity: Talk or presentation types › Invited talk