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
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)