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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.

  • 7 Similar Profiles
Zeolites Chemical Compounds
Molecular dynamics Chemical Compounds
Molecules Chemical Compounds
Electronic density of states Chemical Compounds
Carrier concentration Chemical Compounds
zeolites Physics & Astronomy
Electrostatics Chemical Compounds
Atoms Chemical Compounds

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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: Chapter in Book/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: Chapter in Book/Report/Conference proceedingConference contribution

Open Access
File
flexibility
plastic properties
helices
atoms
simulation
Open Access
Molecular dynamics
Proteins
Computer simulation
Water
Atoms

The Role of Water in the Elastic Properties of Aluminosilicate Zeolites: DFT Investigation

Bryukhanov, I. A., Rybakov, A. A., Larin, A. V., Trubnikov, D. N. & Vercauteren, D. P. 1 Mar 2017 In : Journal of Molecular Modeling. 23, 3, 12 p., 68

Research output: Contribution to journalArticle

Zeolites
Aluminosilicates
Discrete Fourier transforms
zeolites
modulus of elasticity
Proline
field theory (physics)
Free energy
closures
free energy

Activities 1999 2018

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

Vercauteren, D. (Invited speaker), Fossepre, M. (Speaker), Leherte, L. (Speaker), Aatto Laaksonen (Speaker)
21 Mar 2018

Activity: Invited talk

Laboratoire CEISAM-UMR CNRS 6230, Université de Nantes

Vercauteren, D. (Visiting researcher)
1 Feb 201730 Jul 2017

Activity: Visiting an external academic institution

Laboratoire CEISAM-UMR CNRS 6230, Université de Nantes

Vercauteren, D. (Visiting researcher)
May 2016

Activity: Visiting 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