David Ryan Koes

Improvements to the <scp>APBS</scp> biomolecular solvation software suite

Elizabeth Jurrus, Dave Engel, Keith T. Star et al. · Protein Science · 2017 · 2.4K citations · Full text

Lessons Learned in Empirical Scoring with smina from the CSAR 2011 Benchmarking Exercise

David Ryan Koes, Matthew P. Baumgartner, Carlos J. Camacho · Journal of Chemical Information and Modeling · 2013 · 1.1K citations · Full text

Engineering, Machine Learning, Hit Identification +23

GNINA 1.0: molecular docking with deep learning

Andrew T. McNutt, Paul Francoeur, Rishal Aggarwal et al. · Journal of Cheminformatics · 2021 · 716 citations · Full text

ZINCPharmer: pharmacophore search of the ZINC database

David Ryan Koes, Carlos J. Camacho · Nucleic Acids Research · 2012 · 430 citations · Full text

Medicinal Chemistry, Drug Target, Hit Identification +13

Pharmit: interactive exploration of chemical space

Jocelyn Sunseri, David Ryan Koes · Nucleic Acids Research · 2016 · 392 citations · Full text

Virtual Screening, Hit Identification, Biochemistry +13