Cabinet de conseil en gestion de patrimoine indépendant.

Site d'information sur l'épargne et l'investissement.

I apply ligand-based and structure-based strategies to help medicinal chemists to :- optimize compound activity for different therapeutic targets (binding mode prediction, QSAR, etc),- predict binding site for novel targets,- provide rationale for ligand activity,- predict off-targets using chemoinformatics and machine learning (in-house developed tools).Drug discovery, machine learning, ligand activity prediction, virtual chemical library screening.

Molecular modelling study of the membrane attack complex (MAC).- Drug discovery of protein-protein interaction inhibitors (2P2I).- Development of chemical library filter based on machine learning (support vector machine) aiming to find active compounds (hits) for novel therapeutic targets.

Start-up in the field of structural bioinformatics, chemoinformatics and drug design.

Identification of compounds of interest for innovative therapeutic in the field of cancer.Early step in hit discovery of protein-protein interaction inhibitors.• Process implementation to perform structure-based virtual screening (SBVS).• Development of methodology and in-house scoring function for data analysis.• Use of experimental data and collaboration with medicinal chemists and biologists.• QSAR methodsDocking: Surflex (Sybyl), Glide (Schrödinger) FlexX… Show more Identification of compounds of interest for innovative therapeutic in the field of cancer.Early step in hit discovery of protein-protein interaction inhibitors.• Process implementation to perform structure-based virtual screening (SBVS).• Development of methodology and in-house scoring function for data analysis.• Use of experimental data and collaboration with medicinal chemists and biologists.• QSAR methodsDocking: Surflex (Sybyl), Glide (Schrödinger) FlexX (Biosolveit), GOLD (CCDC), Autodock (Scripps)Molecular modeling: Charmm, , Schrödinger, VMD Show less

Practical work in biochemistry, metabolism, informatics, and molecular modeling.Bachelor and Master's degrees.

Experimental and molecular modeling study of enzyme-catalyzed reactions.In the area of white biotechnology: enzyme-catalyzed preparation of high value-added chemical compounds used as pharmaceutical intermediates and fine chemicals.• Molecular modeling simulations performed to purpose rational explanation of enzyme biocatalytic properties.• Multidisciplinary collaborations with European research groups.• Supervision of internship students.Discovery Studio (Accelrys)… Show more Experimental and molecular modeling study of enzyme-catalyzed reactions.In the area of white biotechnology: enzyme-catalyzed preparation of high value-added chemical compounds used as pharmaceutical intermediates and fine chemicals.• Molecular modeling simulations performed to purpose rational explanation of enzyme biocatalytic properties.• Multidisciplinary collaborations with European research groups.• Supervision of internship students.Discovery Studio (Accelrys), molecular dynamics (Charmm) and Free Energy Perturbation (FEP). Show less

Entitled “Study of the structure-activity relationship of antagonists of the XIAP protein”. Drug design of anticancer drug candidates targeting apoptosis pathway disruption.3D molecular design (Sybyl, Tripos), docking (Autodock 4, Scripps), molecular dynamics (Amber) and MMPBSA/MMGBSA calculations.