Predoctoral Researcher PELE
BARCELONA (BARCELONA)
: Barcelona Supercomputing Center
: The Protein Interactions and Docking group from the Life Science Department at the Barcelona Supercomputing Center is offering a full time job as a predoctoral researcher within the PELE European Project.
Computational docking is increasingly important to complement experimental efforts in determining the structures of protein-protein complexes at interactomics level. The requested person will be in charge of optimization state-of-the-art protein-protein docking software for the cases when the interacting subunits need to be modelled. More specifically, he /she will implement in PELE a homology-based modeling pipeline to build structural models for the interacting subunits of the 176 cases of benchmark 4.0, based on homologous templates, selected at different levels of sequence identity (30-50%, 50-70%, 70-90%). Then, pyDock software will be tested on such benchmark, and the results compared to those obtained with unbound subunits. Different scoring functions will be implemented in PELE and optimized for best results in these conditions. Related to that, he/she will adapt pyDock ASA-based desolvation to a contact-based potential, so that it can be used for fast minimization and refinement of docking poses. These new developed tools, implemented in PELE, will be used for docking predictions at interactomic scale.
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25/12/2013
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