Schrodinger team, D. E. Shaw and Co., Banjara Hills, Hyderabad, India.
Pros and cons of 2D-based molecular fingerprints, 3D shape screening, and docking methods will be discussed with emphasis on virtual screening. The importance of hydration sites in protein-ligand binding will be deliberated alongwith some caveats.
Professor, Department of Chemistry, Molecular Modeling and Medicinal Chemistry Group Osmania University
Prof. M. Vijjulatha (born 1970) did her M.Sc (1992) and Ph.D (1998) in Chemistry from University of Hyderabad as Junior Research Fellow and Senior Research Fellow University college of Science (CSIR, New Delhi, India).