Unit of theoretical and structural physico-chemistry

Finished

Mono-Crystal and Powder Diffraction

Wouters, J. (PI) & NORBERG, B. (Support role)

1/01/02 → 31/12/16

Project: Research

COST D26/0010: Experiment-oriented quantum chemistry tools for spectroscopies based on electric, magnetic, and vibrational phenomena

CHAMPAGNE, B. (PI), BOTEK, E. (Researcher), CAVILLOT, V. (Researcher), Guillaume, M. (Researcher), Liégeois, V. (Researcher), Quinet, O. (Researcher) & d'Antuono, P. (Researcher)

1/01/02 → 31/12/06

Project: Research

PAI P5-03: Belgian National Interuniversity Attraction Poles on Supramolecular Chemistry and Supramolecular Catalysis

ANDRE, J.-M. (PI), Champagne, B. (PI), BOTEK, E. (Researcher), Jacquemin, D. (Researcher), Spasova, M. (Researcher) & d'Antuono, P. (Researcher)

1/01/02 → 31/12/06

Project: Research

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

NMC: Comparative study on interactions between different organic species and the model polymer systems

Perpete, E. (PI) & Wathelet, V. (Researcher)

1/01/02 → 31/12/08

Project: Research

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

Theoretical study of the nonlinear optical properties of organic surfaces

Champagne, B. (PI) & BOTEK, E. (Researcher)

1/10/01 → 31/08/02

Project: Research

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

Insights into 5-LOX inhibitors binding modes, in order to help in the design of dual 5-LOX/COX-2 inhibitors

DURANT, F. (PI), Masereel, B. (PI), Wouters, J. (PI) & Charlier, C. (Researcher)

1/09/01 → 28/02/06

Project: PHD

Crystallization and analysis of the 3D structure of the different polymorphic forms of lipids

DURANT, F. (PI) & Culot, C. (Researcher)

1/11/00 → 1/11/01

Project: Research

TECMAVER: Materials and technology of environment-friendly polymers

ANDRE, J.-M. (PI), Perpete, E. (PI) & FONTAINE, M. (Researcher)

1/11/00 → 30/04/04

Project: PHD

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

Mixed quantum/classical procedures development for determining non-linear optical properties of condensed phases

Champagne, B. (PI) & Guillaume, M. (Researcher)

1/10/00 → 1/10/04

Project: PHD

e-NLO: Enhanced nonlinear optic properties for efficient and reliable new materials

ANDRE, J.-M. (PI), Jacquemin, D. (PI), Perpete, E. (PI) & Wathelet, V. (Researcher)

1/10/00 → 31/12/12

Project: Research

Influence of natural additives on structural and rheological properties of chocolate

DURANT, F. (PI) & Culot, C. (Researcher)

1/10/00 → 1/10/01

Project: Research

SUVCAT: Elaboration of quantum chemistry procedures in order to interpret the UV/visible spectra of catalysts used in the procedure of Solvay S.A

CHAMPAGNE, B. (PI) & CAVILLOT, V. (Researcher)

1/09/00 → 1/09/04

Project: PHD

Synthesis and biochemical and biophysical characterization of the properties of type B monoamine oxidase inhibitors

DURANT, F. (PI) & FREDERICK, R. (Researcher)

1/09/00 → 31/08/01

Project: Research

ANTISIDA: Conception, synthesis, analysis and molecular modeling of new chemical agents with anti HIV-1 activity

DURANT, F. (PI), HEVESI, L. (PI), Cauvin, C. (Researcher), GEORGES, B. (Researcher) & Le Van, K. (Researcher)

1/09/00 → 31/12/05

Project: Research

Use of liposomes for the prediction of absorption of biological molecules inside biological barriers

DURANT, F. (PI) & Culot, C. (Researcher)

1/09/00 → 1/09/03

Project: Research

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

TXA²: Design of an original method to establish pharmacophores : application to thromboxane A2 receptor antagonists

DURANT, F. (PI) & Masereel, B. (PI)

1/02/00 → 31/01/01

Project: Research

Molecular modelling and physico-chemical study of new chemical agents targeted on type 1 Human Immunodeficiency Virus (HIV-1) reverse transcriptase

DURANT, F. (PI)

1/10/99 → 30/04/04

Project: PHD

Development of a pharmacophore describing selective cyclooxygenase-2 (COX-2) inhibitors and design of an original selective COX-2 family

DURANT, F. (PI), Masereel, B. (PI), Wouters, J. (PI) & Michaux, C. (Researcher)

1/10/99 → 31/12/04

Project: PHD

Execution of a program for the determination of chemical structures by x-ray diffraction on single crystals

DURANT, F. (PI) & Wouters, J. (PI)

16/04/99 → 31/12/04

Project: Research

Elaboration of quantum chemical methods to determine the mixed derivatives with respect to Cartesian coordinates and oscillating electric fields; application to the Raman spectroscopy and to nonlinear optical properties

Champagne, B. (PI) & Quinet, O. (Researcher)

1/10/98 → 30/09/02

Project: PHD

New approaches for the design of HIV-1 protease inhibitors

DURANT, F. (PI)

1/10/98 → 31/12/01

Project: PHD

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

Characterization and development of new techniques based on density functional theory for the determination of non-linear optical properties

CHAMPAGNE, B. (PI), CAVILLOT, V. (Researcher), Jacquemin, D. (Researcher), Perpete, E. (Researcher) & Quinet, O. (Researcher)

1/09/98 → 31/12/05

Project: Research

Ziegler-Natta Catalysis of polyethylene polymerization reactions

ANDRE, J.-M. (PI), CHAMPAGNE, B. (PI), CAVILLOT, V. (Researcher) & Perpete, E. (Researcher)

1/09/98 → 31/08/00

Project: Research

Structural and electronic caracterization of different nitrone derivatives

DURANT, F. (PI)

31/08/98 → 31/08/03

Project: PHD

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

Physicochemical characterisation and development of metal-organic compounds as HIV-1 protease inhibitors

DURANT, F. (PI) & LEDECQ, M. (Researcher)

1/10/97 → 31/12/04

Project: PHD

Study of the structure of macromolecules using bio-physico-chemical methods (biospectroscopies, crystallography, molecular modeling)

Depiereux, E. (PI) & Wouters, J. (PI)

1/10/97 → 1/01/99

Project: Research

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

Structural Investigations of the Hypoxia-Inducible Factor-1 (HIF1)

DURANT, F. (PI), Michiels, C. (PI) & Remacle, J. (PI)

1/09/97 → 28/02/02

Project: PHD

Structural characterization of ligand-enzyme interactions by means of biophysicochemical methods including x-ray diffraction, biospectroscopies, calculations and NMR studies. Molecular modelling studies of the interaction of inhibitors of monoamine oxidase

DURANT, F. (PI) & Wouters, J. (Researcher)

1/09/97 → 31/12/01

Project: Research

Study of stereoelectronic properties of heterocycles in order to classify them based on their similarity/dissimilarity

DURANT, F. (PI)

1/09/97 → 1/05/99

Project: Research

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

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

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

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

Analysis of the polymorphism of drugs by X-ray diffraction

DURANT, F. (PI) & Culot, C. (Researcher)

1/09/95 → 31/12/03

Project: Research

Structural and electronic characterization of reversible inhibitors of monoamine oxidase

DURANT, F. (PI) & Wouters, J. (PI)

1/08/95 → 31/08/00

Project: PHD

Structure analysis of high density lipoprotein (HDL) by scanning tunneling microcope (STM)

DURANT, F. (PI) & Culot, C. (Researcher)

1/04/95 → 31/12/99

Project: Research

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