Computer Aided Drug Design

Abstract:

Computational biology and Bioinformatics address critical challenges posed to human health, habitat and well-being. In pharmaceutical applications, it is central to have detailed understanding of interactions between drug-like small molecules and biomolecular targets. In this talk, I will present my recent projects through which I came up with accurate yet fast computational methods to study different aspects of bimolecular interactions. The ultimate goal of my research is to facilitate the discovery, design and development of drugs.  

Biography:

Negin is a fifth year Ph.D. candidate in the computer science department at Virginia Tech. She applies scalable optimization algorithms, high performance computing and data analytics techniques to study biomolecular systems. Her undergraduate and masters degrees in computer science are from Amirkabir University of Technology (Tehran Polytechnic), IRAN.