Quantitative Structure-Activity Relationships for Human Galectin-3 Inhibitors: Insights from Quantum Chemical Interaction Energy Terms.

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Tomohide Masuda Chiduru Watanabe Koichiro Kato Teruki Honma Masateru Ohta Mitsunori Ikeguchi Quantitative Structure-Activity Relationships for Human Galectin-3 Inhibitors: Insights from Quantum Chemical Interaction Energy Terms. 6287-6297 2025 65 J. Chem. Inf. Model. 12 https://doi.org/10.1021/acs.jcim.5c00592 db/journals/jcisd/jcisd65.html#MasudaWKHOI25 streams/journals/jcisd

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Matthew Ragoza Tomohide Masuda David Ryan Koes Generating 3D Molecules Conditional on Receptor Binding Sites with Deep Generative Models. 2021 abs/2110.15200 CoRR https://arxiv.org/abs/2110.15200 db/journals/corr/corr2110.html#abs-2110-15200

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Matthew Ragoza Tomohide Masuda David Ryan Koes Learning a Continuous Representation of 3D Molecular Structures with Deep Generative Models. 2020 abs/2010.08687 CoRR https://arxiv.org/abs/2010.08687 db/journals/corr/corr2010.html#abs-2010-08687

Tomohide Masuda Matthew Ragoza David Ryan Koes Generating 3D Molecular Structures Conditional on a Receptor Binding Site with Deep Generative Models. 2020 abs/2010.14442 CoRR https://arxiv.org/abs/2010.14442 db/journals/corr/corr2010.html#abs-2010-14442

Rishal Aggarwal Paul G. Francoeur Kaori Fukuzawa Teruki Honma Mitsunori Ikeguchi Richard B. Iovanisci Andrew Jia Kikuko Kamisaka Ryo Kanada Koichiro Kato David Ryan Koes Andrew T. McNutt Rocco Meli Naoki Miyagawa Hideo Mizouchi Shumpei Nagase Masateru Ohta Yasushi Okuno Satoshi Ono Kanji Oshima Matthew Ragoza Ian Snyder Jocelyn Sunseri Atsushi Tokuhisa Hiroshi Ueda Chiduru Watanabe