David Ryan Koes
University of Pittsburgh(US)Computational Diagnostics (United States)(US)
Publications by Year
Research Areas
Computational Drug Discovery Methods, Machine Learning in Materials Science, Protein Structure and Dynamics, Microbial Natural Products and Biosynthesis, Chemical Synthesis and Analysis
Most-Cited Works
- → Improvements to the APBS biomolecular solvation software suite(2017)2,395 cited
- → Lessons Learned in Empirical Scoring with smina from the CSAR 2011 Benchmarking Exercise(2013)1,126 cited
- → GNINA 1.0: molecular docking with deep learning(2021)740 cited
- → ZINCPharmer: pharmacophore search of the ZINC database(2012)433 cited
- → Pharmit: interactive exploration of chemical space(2016)406 cited
- → 3Dmol.js: molecular visualization with WebGL(2014)371 cited
- → Three-Dimensional Convolutional Neural Networks and a Cross-Docked Data Set for Structure-Based Drug Design(2020)328 cited