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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

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Projects 1991 2019

Research Output 1987 2019

Serine
Enzymes
Phosphoserine
Molecular Dynamics Simulation
Glycine
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 proceedingConference 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 proceedingChapter

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. ACS

Research output: Contribution in Book/Catalog/Report/Conference proceedingConference 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

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

Ayan Datta

Laurence Leherte (Host)
10 Jul 201915 Jul 2019

Activity: Hosting a visitor typesHosting an academic visitor

Université de Nantes

Laurence Leherte (Visiting researcher), Daniel Vercauteren (Visiting researcher)
2 Jul 20196 Jul 2019

Activity: Visiting an external institution typesVisiting an external academic institution

Molecular dynamics simulations of cyclic ligand models interacting with protein CD58

Laurence Leherte (Invited speaker)
24 May 2019

Activity: Talk or presentation typesInvited talk

Journal of physical chemistry B (Journal)

Laurence Leherte (Peer reviewer)
21 May 2019

Activity: Publication peer-review and editorial work typesPublication peer-review

2019 annual CHIM meeting

Laurence Leherte (Organiser)
23 May 201924 May 2019

Activity: Participating in or organising an event typesParticipation to a Symposium, a study Day

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. (External person) (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. (External person) (Jury), Michel, A. (External person) (Jury), Bourguignon, J. (External person) (Jury) & Wouters, J. (Jury)

Student thesis: Doc typesDoctor of Sciences