David Ryan Koes, PhD

Removing barriers to computational drug discovery one bit at a time

About

I have a PhD in Computer Science from Carnegie Mellon and am a Research Assistant Professor in the Camacho Lab in the Department of Computational and System Biology at the University of Pittsburgh. My research is to develop novel computational algorithms and build full-scale systems to support rapid and inexpensive drug discovery.

Contact



Suite 3064, Biomedical Science Tower 3 (BST3)
Department of Computational & Systems Biology
School of Medicine, University of Pittsburgh
3501 Fifth Avenue
Pittsburgh, PA 15260

(412) 383-5745

Software

AnchorQuery
Specialized pharmacophore search for targeting protein-protein interactions with multicomponent reaction chemistry.

Pharmer
General pharmacophore search open-source software.

ZINCPharmer
Free online pharmacophore search engine for the ZINC database.

PocketQuery
Identify PPI inhibitor starting points from PPI structure.

smina
Scoring and Minimization with AutoDock Vina

WebMol
Molecular visualizer API wrapper for Jmol and GLmol (low priority project)

Publications