Research output per year
Research output per year
Project Details
Description
The aim of the project is to establish a hierarchical description of the electric charges of a protein and to compare them with existing coarse-grain models.
| Status | Active |
|---|---|
| Effective start/end date | 21/01/08 → … |
Keywords
- electric charges
- multiresolution analysis
- fragments
- electrostatic potential
- smoothing
Attachment to an Research Institute in UNAMUR
- NARILIS
- naXys
- NISM
Fingerprint
Explore the research topics touched on by this project. These labels are generated based on the underlying awards/grants. Together they form a unique fingerprint.
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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 AccessFile12 Downloads (Pure) -
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 AccessFile17 Downloads (Pure) -
Investigation of cyclic ligands inhibiting CD2-CD58 interactions using molecular dynamics and molecular docking approaches
Leherte, L., Petit, A., Jacquemin, D., Vercauteren, D. & Laurent, A., 23 Nov 2018.Research output: Contribution to conference › Poster › peer-review
File17 Downloads (Pure)
Activities
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Annual One-Day Meeting on Medicinal Chemistry - MedChem2018
Laurence Leherte (Poster)
23 Nov 2018Activity: Participating in or organising an event types › Participation in conference
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Université de Nantes
Laurence Leherte (Visiting researcher) & Daniel Vercauteren (Visiting researcher)
3 Jul 2018 → 7 Jul 2018Activity: Visiting an external institution types › Visiting an external academic institution
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Influence of Protein-Solvent Interactions on the Molecular Dynamics of Reduced Point Charge Models of Proteins - COMP5
Laurence Leherte (Speaker) & Daniel Vercauteren (Speaker)
18 Mar 2018Activity: Talk or presentation types › Oral presentation
Prizes
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FNRS subvention for "10th Europen Conference on Computational Chemistry"
Leherte, Laurence (Recipient), Aug 2015
Prize: Other distinction
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Subvention "Agathon de Potter" pour participation au congrès Pacifichem 2010
Leherte, Laurence (Recipient), Dec 2010
Prize: Fellowship awarded competitively