dry-lab: Z5-3031 - Tel: +1-819-820-6868 ext. 12472 Work description
IsoMIF - A tool for the detection of molecular interaction field similarities
I am currently working on a program able to identify molecular interaction field (MIF) similarities between proteins. This technique differs from 3D-QSAR methods as no protein structure superimposition is required. Binding sites are defined using our home-tool GetCleft. MIFs can then be calculated at the surface of the binding site using different energy functions. Once the pair-wise similarities between proteins are calculated, this information can be correlated with known binding profiles of various drugs.
Subsets of proteins can also be selected as polypharmacological targets. We wish to use IsoMIF to detect in a subset of kinases (known to be overexpressed in human triple-negative breast cancer) those that share a high level of MIF similarity, thus that could be selected for potential polypharmacological targets.
We will further implement the IsoMIF Finder interface. It will allow to search a database of pre-calculated MIFs to detect similarity with a user defined MIF of a protein or small molecule.
Sherlocc - A program for the detection of conserved rare codon clusters in Pfam protein families
I earlier developped a program, Sherlocc, able to detect evolutionarily conserved rare codon clusters in protein families (Pfam database) using organism-specific codon usage frequency values (kazusa database). A total of 11 564 protein families were analysed. The output of these analysis are available in a user-friendly HTML format though a searchable interface. The program is available in the tools section.
The NRG website
I created and currently manage the group's website. If you have any questions, problems or suggestions, please email me. Bio
Bachelor in Biology (2010), Université de Sherbrooke, Quebec, Canada
Molecular Recognition Research Group
Systems, Structural and Computational Biology Chemo / Bio - Informatics