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Personal profile

Education/Academic qualification

Doctor of Science, University of Namur

Fingerprint Fingerprint is based on mining the text of the person's scientific documents to create an index of weighted terms, which defines the key subjects of each individual researcher.

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Projects 1991 2018

Research Output 1975 2018

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
flexibility
plastic properties
helices
atoms
simulation

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

Understanding structure and dynamics of small peptides and proteins through the lens of network science

Fossepre, M., Leherte, L., Laaksonen, A. & Vercauteren, D., 2018, Methods and Principles in Medicinal Chemistry series : Biomolecular Simulations in Structure-based Drug Discovery. Gervasio, F. L., Spiwok, V., Mannhold, R., Buschmann, H. & Holenz, J. (eds.). Wiley-VCH

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

Lenses
Peptides
Proteins
Opioid Receptors
Biological systems
Open Access
Molecular dynamics
Proteins
Computer simulation
Water
Atoms

Activities 1999 2018

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

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

Laurence Leherte (Speaker), Daniel Vercauteren (Speaker)
18 Mar 2018

Activity: Talk or presentation typesOral presentation

Université de Nantes

Laurence Leherte (Invited lecturer), Axel Petit (Invited lecturer), Daniel Vercauteren (Visiting researcher)
1 Jul 20178 Jul 2017

Activity: Visiting an external institution typesResearch/Teaching in a external institution

Laboratoire CEISAM-UMR CNRS 6230, Université de Nantes

Daniel P. Vercauteren (Visiting researcher)
1 Feb 201730 Jul 2017

Activity: Visiting an external institution typesVisiting an external academic institution

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