Olivia Doppelt-Azeroual

Olivia Doppelt-Azeroual
Institut Pasteur · CIB

PhD in Computational Biology

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9
Publications
937
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103
Citations

Publications

Publications (9)
Chapter
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Through database mining of the Protein Data Bank (PDB), protein pocket similarities and 3D structural alignments of similar pockets can be performed. These 3D structural alignments can serve as guides in drug design. The commercial MED-SuMo software performs superimposition of PDB ligands based on the ligand-binding corresponding pockets' and subpo...
Article
Ligand-protein interactions are essential for biological processes, and precise characterization of protein binding sites is crucial to understand protein functions. MED-SuMo is a powerful technology to localize similar local regions on protein surfaces. Its heuristic is based on a 3D representation of macromolecules using specific surface chemical...
Article
Full-text available
Resolved three-dimensional protein structures are a major source of information for understanding protein functional properties. The current explosive growth of publicly available protein structures is producing large volumes of data for computational modelling and drug design methods. Target-based in silico drug design tools aid design and optimiz...
Article
Full-text available
Eg5, a mitotic kinesin exclusively involved in the formation and function of the mitotic spindle has attracted interest as an anticancer drug target. Eg5 is co-crystallized with several inhibitors bound to its allosteric binding pocket. Each of these occupies a pocket formed by loop 5/helix alpha2 (L5/alpha2). Recently designed inhibitors additiona...
Article
Full-text available
L'étude d'une structure de protéine issue d'un gène de fonction inconnue est une manière d'appréhender les mécanismes biochimiques dans lesquels elle est impliquée. L'amélioration des méthodes de résolution des structures de macromolécules a contribué à l'augmentation quadratique du nombre de structures disponibles. La fonction d'une protéine se dé...
Article
The large volume of protein-ligand structures now available enables innovative and efficient protocols in computational FBDD (Fragment-Based Drug Design) to be proposed based on experimental data. In this work, we build a database of MED-Portions, where a MED-Portion is a new structural object encoding protein-fragment binding sites. MED-Portions a...
Article
Three-dimensional structural information is critical for understanding functional protein properties and the precise mechanisms of protein functions implicated in physiological and pathological processes. Comparison and detection of protein binding sites are key steps for annotating structures with functional predictions and are extremely valuable...
Article
Full-text available
Eg5, a mitotic kinesin exclusively involved in the formation and function of the mitotic spindle has attracted interest as an anticancer drug target. Eg5 is co-crystallized with several inhibitors bound to its allosteric binding pocket. Each of these occupies a pocket formed by loop 5/helix α 2 (L5/α2). Recently designed inhibitors additionally occ...

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