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Personal profile

Education/Academic qualification

Doctor of Science, University of Namur

Fingerprint 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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Zeolites Chemical Compounds
Molecular dynamics Chemical Compounds
Molecules Chemical Compounds
Electronic density of states Chemical Compounds
Carrier concentration Chemical Compounds
Electrostatics Chemical Compounds
zeolites Physics & Astronomy
Proteins Chemical Compounds

Network Recent external collaboration on country level. Dive into details by clicking on the dots.

Projects 1991 2019

Research Output 1975 2019

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, 19 p., e0213646.

Research output: Contribution to journalArticle

Open Access
molecular dynamics
narcotics
Opioid Receptors
Molecular Dynamics Simulation
Molecular dynamics

Investigation of Cyclic Ligand Inhibiting CD2-CD58 Interactions Using Molecular Dynamics and Molecular Docking Approaches - COMP579

Vercauteren, D., Leherte, L., Laurent, A. & Jacquemin, D., Apr 2019, Abstracts of the 2557th Annual Meeting and Exposition of the American Chemical Society.

Research output: Contribution in Book/Catalog/Report/Conference proceedingConference contribution

Open Access
File

Influence of Protein-Solvent Interactions on the Molecular Dynamics of Reduced Point Charge Models of Proteins - COMP5

Leherte, L. & Vercauteren, D., 2018, Abstracts of the 255th Annual Meeting and Exposition of the American Chemical Society. ACS

Research output: Contribution in Book/Catalog/Report/Conference proceedingConference contribution

Open Access
File
Molecular dynamics
Water
Proteins
Atoms
Amino Acids

Intrinsic Flexibility of the μ Opioid Receptor through Multiscale Modelling Approaches - COMP403

Vercauteren, D., Fossepre, M., Leherte, L. & Laaksonen, A., 2018, Abstracts of the 255th Annual Meeting and Exposition of the American Chemical Society. ACS

Research output: Contribution in Book/Catalog/Report/Conference proceedingConference contribution

Open Access
File
Opioid Receptors
Atoms
Formability
G-Protein-Coupled Receptors
Computational methods

Investigation of cyclic ligands inhibiting CD2-CD58 interactions using molecular dynamics and molecular docking approaches

Leherte, L., Petit, A., Jacquemin, D., Vercauteren, D. & Laurent, A., 23 Nov 2018.

Research output: Contribution to conferencePoster

File
Molecular dynamics
Ligands
Proteins
Hydrogen bonds
Collagen

Activities 1999 2019

Université de Nantes

Laurence Leherte (Visiting researcher), Daniel Vercauteren (Visiting researcher)
2 Jul 20196 Jul 2019

Activity: Visiting an external institution typesVisiting an external academic institution

Université de Nantes

Laurence Leherte (Visiting researcher), Daniel Vercauteren (Visiting researcher)
16 Dec 201820 Dec 2018

Activity: Visiting an external institution typesVisiting an external academic institution

Université de Nantes

Laurence Leherte (Visiting researcher), Daniel Vercauteren (Visiting researcher)
3 Jul 20187 Jul 2018

Activity: Visiting an external institution typesVisiting an external academic institution

Intrinsic Flexibility of the μ Opioid Receptor through Multiscale Modelling Approaches - COMP403

Daniel Vercauteren (Invited speaker), Mathieu Fossepre (Speaker), Laurence Leherte (Speaker), Aatto Laaksonen (Speaker)
21 Mar 2018

Activity: Talk or presentation typesInvited talk

Thesis

Alkylation sélective du toluène par les zéolithes ZSM-5 modifiées : élaboration et gestion d'une banque de connaissances

Author: Prevoo, H., 1993

Supervisor: Vercauteren, D. (Supervisor)

Student thesis: Master typesMaster in Chemistry

Analyse, programmation et applications d'un logiciel de graphisme moléculaire : MGS (Molecular Graphic System)

Author: Vanderveken, D., 1987

Supervisor: Durant, F. (Supervisor) & Vercauteren, D. (Co-Supervisor)

Student thesis: Master typesMaster in Chemistry

Analyse conformationnelle des triglycérides par RMN liquide et modélisation moléculaire

Author: Carême, P., 1995

Supervisor: Vercauteren, D. (Supervisor)

Student thesis: Master typesMaster in Chemistry

Analyse topologique de cartes de densité électronique de ligands pour les récepteurs benzodiazépiniques centraux

Author: Buyck, F., 1994

Supervisor: Vercauteren, D. (Supervisor)

Student thesis: Master typesMaster in Chemistry