David Koes

David Koes, Ph.D.
Assistant Professor

Ph.D. in Computer Science, Carnegie Mellon University
koes
Contact

Phone: (412) 383-5745
E-mail: dkoes@pitt.edu
Website: www.pitt.edu/~dkoes

Research Summary
Removing barriers to computational drug discovery bit by bit. I create novel computational methods for accelerating the pace of discovery and enhancing the accuracy of virtual screening.

 

Recent Publications
Koes DR, Vries JK (2017) Evaluating Molecular Mechanics Force Fields with a Quantum Chemical Approach Biophysical Journal. 112 (3): 289a

Ragoza M, Hochuli J, Idrobo E, Sunseri J, Koes DR (2017) Protein-Ligand Scoring with Convolutional Neural Networks ournal of Chemical Information and Modeling. 57(4): 942-957

Sunseri J, Koes DR, Roy P, Gau D (2017) Characterization of Profilin Binding Kinetics using Ensemble Molecular Dynamics Simulations Biophysical Journal. 112 (3): 287a

 

Publications

Grants
Project title Proj Start Date Proj End Date Funding Source
Methods, Tools and Resources for Interactive Online Virtual Screening and Lead Optimization 2/1/2017 2/1/2021 NIGMS