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Devoloppement of new in-silico screening methods in chemogenomics
Chemoinformatics and bioinformatics methods are now necessary in every drug discovery program. Pharmaceutical industries dedicate more than 10% of their research and... -
Protein-Protein prediction and protein-protein docking by ensemble learning
The work presented in this paper corresponds to eight years of research on the problem of interaction between proteins. I approached the problem of predicting... -
Structural and functional studies on nucleotide transporters
Chloroplast NTT1 mediates external supply of ATP in the plastids, which is pre- requisite for the maintenance of plastid metabolism during limited or missing... -
Docking and Biomolecular Simulations on Computer Grids
International audience -
Using genetic algorithms to predict structural protein-protein interactions
Using genetic algorithms to predict structural protein-protein interactions. Most proteins fulfill their functions through the interaction with one or many partners as... -
Biochemical cytochrome P450 human brain : the CYP2U1
Among the 57 human cytochrome P450 genes that have been identified; substrates, structure and physiologic role of 15 of them is practically unknown. They are called... -
Selective probing of a NADPH site controlled light-induced enzymatic catalysis
International audience -
Evaluation and application of virtual screening methods
Since the introduction of virtual screening in the drug discovery process, the number ofvirtual screening methods has been increasing and available methods have to be... -
Localization of putative binding sites for cyclic guanosine monophosphate and...
International audience -
Homology model of the rainbow trout estrogen receptor (rtERalpha) and docking...
A model for rainbow trout (Oncorhynchus mykiss) estrogen receptor (rtERa) was built by homology with the human estrogen receptor (hERa). A high level of sequence... -
Structural e-bioinformatics and drug design.
Nowadays the in silico scenario for drug design is totally dependent on structural biology and structural bioinformatics. A myriad of free bioinformatics applications... -
Covalent modification of a melanoma-derived antigenic peptide with a natural ...
A LigandFit shape-directed docking methodology was used to identify the best position at which the melanoma-derived MHC class-I HLA-A2-binding antigenic peptide... -
Molecular modeling study of immediate and delayed drugs hypersensitivities : ...
Drug hypersensitivity is an immune-mediated reaction to a drug. Our work was divided into four stages: 1 - We have classified β-lactam antibiotics based on their... -
Development and validation of molecular modeling tool S4MPLE : application to...
This work aims to develop in silico methods targeting the key stages of Fragment-Based Drug Design (FBDD), participating to the development of the molecular modeling... -
Utilisation des tablettes tactiles pour les interactions 3D
International audience -
Genomic, structural and functional characterization of odorant binding protei...
The role of odorant binding proteins in the olfaction of mosquitoes, the primary mechanism of human host recognition, has been an important focus of biological...
