David Ryan Koes, PhD
Removing barriers to computational drug discovery one bit at a time
Department of Computational & Systems Biology
School of Medicine, University of Pittsburgh
3501 Fifth Avenue
Pittsburgh, PA 15260
Interactive exploration of chemical space
Molecular visualization with WebGL
Collection of scripts for creating and visualizing 2D QSAR models
Scoring and Minimization with AutoDock Vina
Specialized pharmacophore search for targeting protein-protein interactions with multicomponent reaction chemistry.
General pharmacophore search open-source software.
Free online pharmacophore search engine for the ZINC database.
Identify PPI inhibitor starting points from PPI structure.
Indexed search of molecular shapes