Projects per year
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- 7 Similar Profiles
Anthralin
Chemical Compounds
Molecules
Chemical Compounds
Nerve Crush
Chemical Compounds
Carrier concentration
Chemical Compounds
Electrostatics
Chemical Compounds
Atoms
Chemical Compounds
Butaclamol
Chemical Compounds
simulation
Physics & Astronomy
Network
Recent external collaboration on country level. Dive into details by clicking on the dots.
Projects 1991 2019
Multiresolution analysis of molecular electrostatic potentials for proteins
21/01/08 → …
Project: Research
Research Output 1987 2016
1
Citations
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
Molecules
field theory (physics)
Hemerythrin
water
molecules
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
Cereals
Lipids
Proteins
Molecular Dynamics Simulation
1
Citations
Multiscale Design of Coarse-Grained Elastic Network-Based Potentials for the μ Opioid Receptor
Fossépré, M., Leherte, L., Laaksonen, A. & Vercauteren, D. P. 1 Sep 2016 In : Journal of Molecular Modeling. 22, 9, 20 p., 227Research output: Contribution to journal › Article
Anthralin
atoms
Atoms
spatial resolution
molecular dynamics
On the Intrinsic Flexibility of the μ Opioid Receptor through Multiscale Modeling Approaches
Fossepre, M. F., Leherte, L. & Vercauteren, D. P. 2016Research output: Contribution to conference › Poster
mu Opioid Receptor
Parameterization of the ReaxFF Reactive Force Field for a Proline-Catalyzed Aldol Reaction
Hubin, P., Jacquemin, D., Leherte, L. & Vercauteren, D. P. 4 Sep 2016 In : Journal of computational chemistry. 37, 29, p. 2564-2572 9 p.Research output: Contribution to journal › Article
Parameterization
Simulated annealing
Set theory
Molecular dynamics
Catalysts
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
Prix du mémoire de fin d'études
Laurence Leherte (Recipient), Jun 1986
Prize: Fellowship awarded competitively
Activities 1987 2017
Applications and prospects in multiresolution analyses of molecular structures and properties
Leherte, L. (Speaker)31 Jan 2017
Activity: Talk or presentation › Oral presentation
Chemical Physics (Journal)
Leherte, L. (Peer reviewer)Jul 2016
Activity: Publication peer-review and editorial work › Publication peer-review
Organic & Biomolecular Chemistry (Journal)
Leherte, L. (Peer reviewer)Feb 2016
Activity: Publication peer-review and editorial work › Publication peer-review
Agence Nationale de la Recherche (External organisation)
Leherte, L. (Member)May 2016
Activity: Membership › Membership of committee
Ecole de Formation Interdisciplinaire pour Doctorants (EFID2016)
Leherte, L. (Participant)May 2016
Activity: Participating in or organising an event › Participation in workshop, seminar, course
Thesis
Etude de l'inhibition de l'ADN (cytosine-5) méthyltransférase bactérienne M.HhaI par un inhibiteur non-nucléosidique, dérivé du RG108.: Mémoire présenté pour l'obtention du grade académique de Master en Sciences Chimiques "Chimie du Vivant et des Nanomatériaux" : Finalité Approfondie.
Author: Rondelet, G., 2012Supervisor: Wouters, J., Dolusic, E., Charlier, C., & Leherte, L.
Student thesis: Master types › Master of Chemical sciences
Etude de la restriction de rotation d'une molécule guest à l'intérieur de rotaxanes à base de cyclodextrine par dynamique moléculaire
Author: Poncin, A., 2007Supervisor: Vercauteren, D. & Leherte, L.
Student thesis: Master types › Master of Chemical 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., Leherte, L., Lanners, S., Champagne, B. & Debras, G.
Student thesis: Doc types › Doctor of Sciences
Structural characterization of cyclodextrins: from inclusion complexes to metal organic frameworks (MOFs):
Author: Elasaad, K., 18 Dec 2013Supervisor: Wouters, J., Leherte, L., Champagne, B., Tinant, B. & Jabin, I.
Student thesis: Doc types › Doctor of Sciences
Spectroscopie et dosimétrie de traceurs à base d'241Am localisés dans les os du genou à l'aide de simulation Monte Carlo.:
Author: Nuttens, V., 2006Supervisor: Lucas, S., Terwagne, G., Lambin, P. & Leherte, L.
Student thesis: DEA types › DEA in Physics and material Chemistry