Projects per year
Fingerprint Dive into the research topics where Laurence LEHERTE is active. These topic labels come from the works of this person. Together they form a unique fingerprint.
- 4 Similar Profiles
Molecular dynamics
Chemical Compounds
Zeolites
Chemical Compounds
Molecules
Chemical Compounds
Electronic density of states
Chemical Compounds
Carrier concentration
Chemical Compounds
Computer simulation
Chemical Compounds
molecular dynamics
Physics & Astronomy
Electrostatics
Chemical Compounds
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
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
DoIFAD: Design Of peptide Inhibitors Fighting Autoimmune Disease
LEHERTE, L., Laurent, A., Vercauteren, D. & Jacquemin, D.
1/01/18 → 31/12/19
Project: Research
Research Output 1987 2019
Crystal structures and snapshots along the reaction pathway of human phosphoserine phosphatase
Haufroid, M., Mirgaux, M., Leherte, L. & Wouters, J., 1 Jun 2019, In : Acta Crystallographica Section D: Biological Crystallography. 75, p. 592-604 13 p.Research output: Contribution to journal › Article
Serine
Enzymes
Phosphoserine
Molecular Dynamics Simulation
Glycine
Interaction of POPC, DPPC, and POPE with the μ opioid receptor: A coarse-grained molecular dynamics study
Angladon, M-A., Fossépré, M., Leherte, L. & Vercauteren, D., 1 Mar 2019, In : PLoS ONE. 14, 3, p. e0213646 19 p., e0213646.Research output: Contribution to journal › Article
Open Access
molecular dynamics
narcotics
Opioid Receptors
Molecular Dynamics Simulation
Molecular dynamics
Investigation of Cyclic Ligand Inhibiting CD2-CD58 Interactions Using Molecular Dynamics and Molecular Docking Approaches - COMP579
Vercauteren, D., Leherte, L., Laurent, A. & Jacquemin, D., Apr 2019, Abstracts of the 2557th Annual Meeting and Exposition of the American Chemical Society.Research output: Contribution in Book/Catalog/Report/Conference proceeding › Conference contribution
Open Access
File
Applications of Leveling Methods to Properties of Small Molecules and Protein Systems
Leherte, L., 2018, Innovations in Computational Chemistry: Theoretical and Quantum Chemistry at the Dawn of the 21st Century. Carbó-Dorca, R. & Chakraborty, T. (eds.). p. 197-248 51 p.Research output: Contribution in Book/Catalog/Report/Conference proceeding › Chapter
Open Access
File
Multiresolution analysis
Molecules
Crystallography
Ubiquitin
Charge density
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
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 2019
Adèle Laurent
Laurence Leherte (Host)7 Oct 2019 → 9 Oct 2019
Activity: Hosting a visitor types › Hosting a researcher
2019 SRC Scientific Day
Laurence Leherte (Participant)10 Oct 2019
Activity: Participating in or organising an event types › Participation to a Symposium, a study Day
Biomolecules (Journal)
Laurence Leherte (Peer reviewer)15 Oct 2019
Activity: Publication peer-review and editorial work types › Publication peer-review
The Journal of Physical Chemistry C (Journal)
Laurence Leherte (Peer reviewer)9 Oct 2019
Activity: Publication peer-review and editorial work types › Publication peer-review
Neha Tripathi
Laurence Leherte (Host)7 Oct 2019 → 9 Oct 2019
Activity: Hosting a visitor types › Hosting a researcher
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