Projects per year
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.
- 5 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
Network
Recent external collaboration on country level. Dive into details by clicking on the dots.
Projects 1991 2018
DoIFAD: Design Of peptide Inhibitors Fighting Autoimmune Disease
Leherte, L., Laurent, A., Vercauteren, D. & Jacquemin, D.
1/01/18 → …
Project: Research
Multiresolution analysis of molecular electrostatic potentials for proteins
21/01/08 → …
Project: Research
Multiresolution analysis of electron density maps
Leherte, L., Vercauteren, D. & Meurice, N.
1/09/95 → …
Project: Research
Topological analysis of protein electron density maps
Leherte, L., Vercauteren, D. & Biname, J.
30/09/91 → …
Project: Research
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. ACSResearch output: Contribution in Book/Catalog/Report/Conference proceeding › Conference 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. ACSResearch output: Contribution in Book/Catalog/Report/Conference proceeding › Conference contribution
Open Access
File
flexibility
plastic properties
helices
atoms
simulation
Reduced Point Charge Models of Proteins - Effect of Protein-Water Interactions in Molecular Dynamics Simulations of Ubiquitin Systems
Leherte, L. & Vercauteren, D., 2017, In : Journal of physical chemistry B. p. 9771-9784 14 p.Research output: Contribution to journal › Article
Open Access
Molecular dynamics
Proteins
Computer simulation
Water
Atoms
Accessing the Free Energy Profile of a Ring Closure in a Proline-Catalyzed Reaction Using a Reactive Force Field
Hubin, P., Jacquemin, D., Leherte, L. & Vercauteren, D. P., 1 Jan 2016, In : Theoretical Chemistry Accounts. 135, 1, p. 1-10 10 p., 16Research output: Contribution to journal › Article
Proline
field theory (physics)
Free energy
closures
free energy
Comparison of Coarse-Grain and All-Atom Methods for the Study of µ Opioid Receptor
Angladon, M-A., Leherte, L. & Vercauteren, D. P., 26 Apr 2016Research output: Contribution to conference › Poster
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
Financement FSR "Simulations de propriétés structurales, énergétiques et dynamiques d'assemblages supramoléculaires constitués de cycloextrines"
Laurence Leherte (Recipient), 2001
Prize: Other distinction
FNRS subvention for "10th Europen Conference on Computational Chemistry"
Laurence Leherte (Recipient), Aug 2015
Prize: Other distinction
Prix du concours annuel (Groupe III - Chimie) de la Classe des Sciences
Laurence Leherte (Recipient), 2009
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
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: Talk or presentation › Invited talk
Influence of Protein-Solvent Interactions on the Molecular Dynamics of Reduced Point Charge Models of Proteins - COMP5
Leherte, L. (Speaker), Vercauteren, D. (Speaker)18 Mar 2018
Activity: Talk or presentation › Oral presentation
Molecular Dynamics Simulations of Proteins using Reduced Point Charge Models
Leherte, L. (Speaker)30 Jan 2018
Activity: Talk or presentation › Invited talk
Reduced point charge models of proteins - Influence of protein-solvent interactions
Leherte, L. (Speaker)28 Aug 2017
Activity: Talk or presentation › Oral presentation
Design of reduced point charge models of proteins - Applications to the CD2/CD58 protein complex
Leherte, L. (Invited speaker)3 Jul 2017
Activity: Talk or presentation › Invited talk
Thesis
Caractérisation enzymatique et structurale d'inhibiteurs indoliques de la tryptophane 2,3-dioxygénase.: Mémoire présenté pour l'obtention du grade académique de Master en Chimie "Chimie du Vivant et des Nanomatériaux" : Finalité Spécialisée.
Author: Molle, N., 2012Supervisor: Wouters, J. (Supervisor), Dolusic, E. (Jury), Moineaux, L. (Jury), Fonder, G. (Jury) & Leherte, L. (Jury)
Student thesis: Master types › Master in Chemistry
Caractérisation structurale et étude de l'inhibityion de la 1-déoxy-D-xylulose-5-phosphate réductoisomérase (DXR) de E. coli et de la DXR-like (DRL) de B. abortus, par des analogues de la fosmidomycine
Author: Pouyez, J., 3 Oct 2014Supervisor: Wouters, J. (Supervisor), Aprile, C. (President), De Bolle, X. (Jury), Lanners, S. (Jury), Leherte, L. (Jury) & Charlier, P. (External person) (Jury)
Student thesis: Doc types › Doctor of Sciences
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 2012Supervisor: Vercauteren, D. (Supervisor), Leherte, L. (Jury), Lanners, S. (President), Champagne, B. (Jury) & Debras, G. (External person) (Jury)
Student thesis: Doc types › Doctor 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 2008Supervisor: Vercauteren, D. (Supervisor), Leherte, L. (Co-Supervisor), Fortier, S. (External person) (Jury), Michel, A. (External person) (Jury), Bourguignon, J. (External person) (Jury) & Wouters, J. (Jury)
Student thesis: Doc types › Doctor of Sciences
Développement d'un algorithme génétique original pour l'alignement de graphes moléculaires issus de la densité électronique
Author: Meurice, N., 2001Supervisor: Vercauteren, D. (Supervisor) & Leherte, L. (Co-Supervisor)
Student thesis: Doc types › Doctor of Sciences