A D3R prospective evaluation of machine learning for protein-ligand scoring. - Jocelyn Sunseri; Matthew Ragoza; Jasmine Collins; David Ryan Koes (J. Comput. Aided Mol. Des., 2016)

Pharmit: interactive exploration of chemical space. - Jocelyn Sunseri; David Ryan Koes (Nucleic Acids Res., 2016)

Protein-Ligand Scoring with Convolutional Neural Networks. - Matthew Ragoza; Joshua E. Hochuli; Elisa Idrobo; Jocelyn Sunseri; David Ryan Koes (J. Chem. Inf. Model., 2017)

libmolgrid: GPU Accelerated Molecular Gridding for Deep Learning Applications. - Jocelyn Sunseri; David Ryan Koes (CoRR, 2019)

Convolutional neural network scoring and minimization in the D3R 2017 community challenge. - Jocelyn Sunseri; Jonathan E. King; Paul G. Francoeur; David Ryan Koes (J. Comput. Aided Mol. Des., 2019)

Three-Dimensional Convolutional Neural Networks and a Cross-Docked Data Set for Structure-Based Drug Design. - Paul G. Francoeur; Tomohide Masuda; Jocelyn Sunseri; Andrew Jia; Richard B. Iovanisci; Ian Snyder; David Ryan Koes (J. Chem. Inf. Model., 2020)

libmolgrid: Graphics Processing Unit Accelerated Molecular Gridding for Deep Learning Applications. - Jocelyn Sunseri; David Ryan Koes (J. Chem. Inf. Model., 2020)

GNINA 1.0: molecular docking with deep learning. - Andrew T. McNutt; Paul G. Francoeur; Rishal Aggarwal; Tomohide Masuda; Rocco Meli; Matthew Ragoza; Jocelyn Sunseri; David Ryan Koes (J. Cheminformatics, 2021)