Projects per year
Search results
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Active
Elucidation of various mechanisms of rotational constraints in rotaxane-like systems by molecular mechanics and molecular dynamics
Vercauteren, D. (PI) & Poncin, A. (Researcher)
1/10/07 → …
Project: PHD
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Multiresolution analysis of electron density maps
Leherte, L. (PI), Vercauteren, D. (PI) & Meurice, N. (Researcher)
1/09/95 → …
Project: Research
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Topological analysis of protein electron density maps
Leherte, L. (PI), Vercauteren, D. (PI) & Biname, J. (Researcher)
30/09/91 → …
Project: Research
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Finished
DoIFAD: Design Of peptide Inhibitors Fighting Autoimmune Disease
Leherte, L. (PI), Laurent, A. D. (PI), Vercauteren, D. (CoI) & Jacquemin, D. (CoI)
1/01/18 → 31/12/19
Project: Research
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Etude théorique de l'auto-assemblage de récepteurs opioïdes par des méthodes hybrides afin d’élaborer des ligands bitopiques
COSQUER, R. (PI), Vercauteren, D. (Supervisor) & Leherte, L. (Supervisor)
1/10/15 → 1/10/17
Project: Research
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Development of multi resolutions coarse-grained models of a POPC lipid bilayer and analysis of their dynamics
COSQUER, R. (Researcher), Vercauteren, D. (PI) & FOSSEPRE, M. (Support role)
7/01/15 → 7/07/15
Project: Research
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Etude de l'influence de la membrane plasmique sur les propriétés structurales et fonctionnelles du récepteur opïoide µ
Angladon, M.-A. (PI) & Vercauteren, D. (Supervisor)
1/10/13 → 30/09/17
Project: PHD
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Conformational analysis of pillararenes by Molecylar Dynamics
STAELENS, N. (Researcher), Leherte, L. (Researcher), Vercauteren, D. (Co-supervisor) & Nierengarten, J. F. (PI)
1/07/13 → 1/01/16
Project: Research
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Influence of the lipid composition of the plasmic membrane on the dynamical properties of protein Mu using coarse-grained Molecular Dynamics
Angladon, M.-A. (PI), FOSSEPRE, M. (CoI), Leherte, L. (CoI) & Vercauteren, D. (CoI)
1/01/13 → 1/07/18
Project: Research
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Investigation of proline-catalyzed aldol reactions using a reactive force field
HUBIN, P. (Researcher), Vercauteren, D. (PI) & Jacquemin, D. (CoI)
1/10/12 → 1/10/16
Project: PHD
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Etude mécanistique de réactions dorganocatalyse énantiosélectives par développement d'un champ de forces réactionnel
Vercauteren, D. (PI)
1/10/12 → 30/09/14
Project: Research
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Development of a limited side-effect anesthetic and studies of the µ opioid and NR2B receptors dynamics by stastistical mechanics simulations based on a multi-scale force field.
FOSSEPRE, M. (Researcher) & Vercauteren, D. (Supervisor)
1/10/10 → 20/01/16
Project: PHD
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Development of a limited side effect anesthetic and studies of the μ opioid and NR2B
Vercauteren, D. (PI)
1/10/10 → 30/09/14
Project: Research
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Large scale coarse-grained simulations of supramolecular systems containing DNA and proteins in solution.
NAOME, A. (Researcher), Vercauteren, D. (CoI) & Laaksonen, A. (CoI)
1/10/09 → 1/10/13
Project: PHD
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Molecular Dynamics simulations of energetic, structural, and dynamical properties of proteins in micellar medium
Leherte, L. (Researcher), Michaux, C. (Researcher) & Vercauteren, D. (CoI)
1/10/07 → 30/09/09
Project: Research
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Functional Supramolecular Systems (PAI P6/27)
Champagne, B. (PI), Wouters, J. (PI), BOTEK, E. (Researcher), DE WERGIFOSSE, M. (Researcher), GUTHMULLER, J. (Researcher), Liegeois, V. (Researcher), NORBERG, B. (Technician), Plaquet, A. (Researcher), STAELENS, N. (Researcher) & Vercauteren, D. (CoI)
1/01/07 → 31/12/11
Project: Research
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Study of the formation and of the structural, energetic, and dynamic properties of supramolecular assemblies based on oligomers complexed in cyclodextrin tubules and silver clusters in DNA
STAELENS, N. (Researcher) & Vercauteren, D. (PI)
1/10/05 → 26/05/14
Project: PHD
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Charge transferability in proteins
Lecomte, C. (PI), Guillot, B. (Researcher), Jelsch, C. (Researcher), Leherte, L. (Researcher) & Vercauteren, D. (CoI)
1/01/05 → 30/12/06
Project: Research
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Writing down as analyzing way of pedagogic communication at University
Romainville, M. (PI), Vercauteren, D. (PI) & Houart, M. (Researcher)
1/12/04 → 28/05/09
Project: PHD
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Ananlysis of transition mechanisms of molecular motors by quantum mechanics
Vercauteren, D. (PI) & BRIQUET, L. (Researcher)
1/10/04 → 30/09/06
Project: PHD
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Developmentof molecular fingerprints based on electron density critical points: application to cytochrome P450 inhibition
Vercauteren, D. (PI) & Burton, J. (Researcher)
30/09/04 → 30/09/08
Project: PHD
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PAI: Quantum size effects in nanostructured materials PAI-P5/01
Lambin, P. (PI), Amara, H. (Researcher), B.NAGY, J. (CoI), FONSECA, A. (Researcher), Foteinopoulou, S. (Researcher), Henrard, L. (Researcher), Mayer, A. (Researcher), Mekhalif, Z. (CoI), Pireaux, J.-J. (CoI), Schievekamp, I. (Support role), Silien, C. (Researcher), Su, B. L. (CoI), THIRY, P. (CoI) & Vercauteren, D. (CoI)
1/01/02 → 31/12/06
Project: Research
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FSR: Simulations of structural, energetic, and dynamical properties of cyclodextrin-based supramolecular assemblies
Leherte, L. (PI), Vercauteren, D. (PI), BRIQUET, L. (Researcher) & Dury, L. (Researcher)
22/11/01 → 1/10/05
Project: Research
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Stability of carbonyl-transition metals and alkali-carbonyl complexes
Leherte, L. (PI), Vercauteren, D. (PI) & Larin, A. (Researcher)
1/09/01 → 31/12/04
Project: Research
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COST: Development of alternatives to the SF6 gas for electrical equipment
Vercauteren, D. (PI), Larin, A. (Researcher), Leherte, L. (Researcher) & Meurice, N. (Researcher)
1/10/00 → 31/03/04
Project: Research
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Classification and association rules of topological representations of structural and physico-chemical properties of pharmacological molecules
Leherte, L. (PI), Vercauteren, D. (PI) & Biname, J. (Researcher)
1/08/00 → 31/12/02
Project: PHD
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Study of the complementarity between ligands/receptors and protein/DNA by the development of genetic algorithm methods
Leherte, L. (PI), Vercauteren, D. (PI) & Becue, A. (Researcher)
1/09/98 → 31/12/04
Project: PHD
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Comparison of 3D molecular properties surfaces of ligands of biopharmacological interest by the Kohonen self-organizing maps technique
Leherte, L. (PI) & Vercauteren, D. (PI)
1/11/97 → 31/12/02
Project: PHD
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Determination of classification criteria in organic chemistry reactional databases and development of computer tools for searching and analysing chemical reactions
Leherte, L. (PI), Vercauteren, D. (PI) & Dury, L. (Researcher)
1/09/97 → 31/12/04
Project: PHD
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Distributed multipole analyses of zeolite and aluminophosphate frameworks calculated with a periodic Hartree-Fock Scheme
Leherte, L. (PI), Vercauteren, D. (PI) & Larin, A. (Researcher)
1/08/97 → 31/12/04
Project: Research
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Study of the adsorption of diatomic molecules within zeolite A and Y type frameworks
Leherte, L. (PI), Vercauteren, D. (PI) & Larin, A. (Researcher)
1/08/96 → 31/12/04
Project: Research
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Study of the similarity between ligands of pharmacological interest by the development of genetic algorithm methods
Leherte, L. (PI), Vercauteren, D. (PI) & Meurice, N. (Researcher)
1/09/95 → 31/12/04
Project: PHD
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Characterization of the catalytic performance of zeolite systems by artificial neural networks
Leherte, L. (PI) & Vercauteren, D. (PI)
1/09/95 → 31/12/02
Project: Research
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Development of the ISCF Center
Champagne, B. (PI), VIGNERON, J.-P. (PI), Derycke, I. (Support role), Fripiat, J. (Researcher), Lambin, P. (Researcher), Schievekamp, I. (Support role), Vercauteren, D. (Researcher), Wautelet, F. (Support role) & Wouters, J. (CoI)
1/01/95 → 31/12/12
Project: Research
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Theoretical study of Ziegler-Natta catalysts for isotactic polymerization of propylene
Vercauteren, D. (PI), HANSENNE, C. (Researcher) & Lvovski, V. (Researcher)
1/06/94 → 31/08/08
Project: PHD
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Study of shape complementarity in supramolecular systems by topological analysis methods
Leherte, L. (PI), Vercauteren, D. (PI), Becue, A. (Researcher), Becue, A. (Researcher) & Meurice, N. (Researcher)
1/01/93 → 31/12/04
Project: Research
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Design of an expert system for the alkylation of aromatics by zeolites as shape selective catalysts
Leherte, L. (PI) & Vercauteren, D. (PI)
1/09/92 → 31/12/98
Project: PHD
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Conformational and dynamical study of stereoregular polymers by ab initio molecular dynamics methods
Leherte, L. (PI), Vercauteren, D. (PI) & DEGUELLE, V. (Researcher)
1/09/92 → 31/12/04
Project: PHD
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PAI: Sciences of Interfacial and Mesoscopic Structures PAI-P3/49
Lucas, A. (PI), B.NAGY, J. (CoI), Caudano, Y. (Researcher), Cecchet, F. (Researcher), DELHALLE, J. (CoI), FONSECA, A. (Researcher), GHIJSEN, J. (Researcher), HANSENNE, C. (Researcher), Henrard, L. (Researcher), Lambin, P. (Researcher), Larin, A. (Researcher), Leherte, L. (Researcher), Marenne, I. (Researcher), Mayer, A. (Researcher), Mekhalif, Z. (CoI), MOREAU, F. (Researcher), Peremans, A. (Researcher), Pireaux, J.-J. (CoI), Schievekamp, I. (Secretaire), Silien, C. (Researcher), SIMONIS, P. (Researcher), THIRY, P. (Researcher), Vercauteren, D. (CoI) & VIGNERON, J.-P. (Researcher)
1/01/92 → 31/12/96
Project: Research
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Development of graphic facilities for scientific applications
Leherte, L. (PI) & Vercauteren, D. (PI)
1/09/91 → 31/12/99
Project: Research
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Structural, energetic, dynamical, and reactivity properties of molecules in zeolitic frameworks
Leherte, L. (PI), Vercauteren, D. (PI) & HANSENNE, C. (Researcher)
1/09/91 → 31/12/04
Project: Research