Seminar: Ahmet Bakan

Department of Computational and Systems Biology and the Clinical & Translational Research Institute, University of Pittsburgh

ProDy: Protein Dynamics Inferred from Theory and Experiments

Thursday, April 14, 12:30 – 1:50 PM
229 Benedum Hall

 

ABSTRACT: ProDy is a Python package for structure-based analysis of protein dynamics. It allows for quantitative characterization of structural variations in heterogeneous datasets of structures experimentally resolved for a given biomolecular system, and for comparison of these variations with the theoretically predicted equilibrium dynamics. Datasets include structural ensembles for a given family or subfamily of proetins, their mutants and sequence homologues, in the presence/absence of their substrates, ligands or inhibitors. Numerous helper functions enable comparative analysis of experimental and theoretical data, and visualization of the principal changes in conformations that are accessible in different functional states. ProDy API has been designed so that users can easily extend the software and implement new methods.

BIOGRAPHY: Ahmet Bakan studied chemistry at Koc University, Istanbul.