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  • 4 Similar Profiles
Zeolites Chemical Compounds
Molecular dynamics Chemical Compounds
Molecules Chemical Compounds
Electronic density of states Chemical Compounds
Carrier concentration Chemical Compounds
Electrostatics Chemical Compounds
molecular dynamics Physics & Astronomy
Computer simulation Chemical Compounds

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Projects 1991 2018

Research Output 1987 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
Proline
field theory (physics)
Free energy
closures
free energy
Opioid Receptors
Lipids
Molecular Dynamics Simulation
mu Opioid Receptor
G-Protein-Coupled Receptors

Prizes

Bourse de recherche scientifique de l'OTAN

Laurence Leherte (Recipient), 1 Apr 1993

Prize: Fellowship awarded competitively

Electronic density of states
Electrostatics
Proteins

Prix du mémoire de fin d'études

Laurence Leherte (Recipient), Jun 1986

Prize: Fellowship awarded competitively

Activities 1987 2018

Thesis

Deciphering stereocontrol of propylene polymerization with CMe2[Flu-Mu-3-SiMe3-Cp]ZrCl2 ansa-metallocene using chemoinformatics and meta-heuristics

Author: Latour, T., 12 Oct 2012

Supervisor: Vercauteren, D. (Supervisor), Leherte, L. (Jury), Lanners, S. (President), Champagne, B. (Jury) & Debras, G. (Jury)

Student thesis: Doc typesDoctor of Sciences

Développement d'empreintes digitales moléculaires basées sur les points critiques de la densité électronique : application à l'inhibition des cytochromes P450

Author: Burton, J., 19 Sep 2008

Supervisor: Vercauteren, D. (Supervisor), Leherte, L. (Co-Supervisor), Fortier, S. (Jury), Michel, A. (Jury), Bourguignon, J. (Jury) & Wouters, J. (Jury)

Student thesis: Doc typesDoctor of Sciences