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2020 – today
- 2021
[j3]Andrew T. McNutt
, Paul G. Francoeur, Rishal Aggarwal, Tomohide Masuda, Rocco Meli, Matthew Ragoza, Jocelyn Sunseri, David Ryan Koes:
GNINA 1.0: molecular docking with deep learning. J. Cheminformatics 13(1): 43 (2021)- [i3]Matthew Ragoza, Tomohide Masuda, David Ryan Koes:
Generating 3D Molecules Conditional on Receptor Binding Sites with Deep Generative Models. CoRR abs/2110.15200 (2021) - 2020
- [j2]Koichiro Kato, Tomohide Masuda, Chiduru Watanabe, Naoki Miyagawa, Hideo Mizouchi, Shumpei Nagase, Kikuko Kamisaka, Kanji Oshima, Satoshi Ono, Hiroshi Ueda, Atsushi Tokuhisa, Ryo Kanada, Masateru Ohta, Mitsunori Ikeguchi, Yasushi Okuno, Kaori Fukuzawa, Teruki Honma:
High-Precision Atomic Charge Prediction for Protein Systems Using Fragment Molecular Orbital Calculation and Machine Learning. J. Chem. Inf. Model. 60(7): 3361-3368 (2020) - [j1]Paul G. Francoeur, Tomohide Masuda, Jocelyn Sunseri, Andrew Jia, Richard B. Iovanisci, Ian Snyder, David Ryan Koes:
Three-Dimensional Convolutional Neural Networks and a Cross-Docked Data Set for Structure-Based Drug Design. J. Chem. Inf. Model. 60(9): 4200-4215 (2020) - [i2]Matthew Ragoza, Tomohide Masuda, David Ryan Koes:
Learning a Continuous Representation of 3D Molecular Structures with Deep Generative Models. CoRR abs/2010.08687 (2020) - [i1]Tomohide Masuda, Matthew Ragoza, David Ryan Koes:
Generating 3D Molecular Structures Conditional on a Receptor Binding Site with Deep Generative Models. CoRR abs/2010.14442 (2020)
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