Koji Tsuda

Publication Activity (10 Years)

Years Active: 2015-2024
Publications (10 Years): 30

Top Topics

Machine Learning

Walled Carbon Nanotubes

Molecular Dynamics

Top Venues

Journal of chemical theory and computation

Nature chemical biology

ACS medicinal chemistry letters

The Journal of chemical physics

This page only lists publications with an associated author ORCID identifier.

Publications

Louis-Philippe Picard, Alexander Orazietti, Duy Phuoc Tran, Andrejs Tucs, Sari Hagimoto, Zhenzhou Qi, Shuya Kate Huang, Koji Tsuda, Akio Kitao, Adnan Sljoka, Robert Scott Prosser
Balancing G protein selectivity and efficacy in the adenosine A 2A receptor. Nature chemical biology (2024)
Louis-Philippe Picard, Alexander Orazietti, Duy Phuoc Tran, Andrejs Tucs, Sari Hagimoto, Zhenzhou Qi, Shuya Kate Huang, Koji Tsuda, Akio Kitao, Adnan Sljoka, Robert Scott Prosser
Balancing G protein selectivity and efficacy in the adenosine A 2A receptor. Nature chemical biology (2024)
Louis-Philippe Picard, Alexander Orazietti, Duy Phuoc Tran, Andrejs Tucs, Sari Hagimoto, Zhenzhou Qi, Shuya Kate Huang, Koji Tsuda, Akio Kitao, Adnan Sljoka, Robert Scott Prosser
Author Correction: Balancing G protein selectivity and efficacy in the adenosine A 2A receptor. Nature chemical biology (2024)
Louis-Philippe Picard, Alexander Orazietti, Duy Phuoc Tran, Andrejs Tucs, Sari Hagimoto, Zhenzhou Qi, Shuya Kate Huang, Koji Tsuda, Akio Kitao, Adnan Sljoka, Robert Scott Prosser
Balancing G protein selectivity and efficacy in the adenosine A 2A receptor. Nature chemical biology (2024)
Seoin Back, Alán Aspuru-Guzik, Michele Ceriotti, Ganna Gryn'ova, Bartosz A Grzybowski, Geun Ho Gu, Jason E Hein, Kedar Hippalgaonkar, Rodrigo Hormázabal, Yousung Jung, Seonah Kim, Woo Youn Kim, Seyed Mohamad Moosavi, Juhwan Noh, Changyoung Park, Joshua Schrier, Philippe Schwaller, Koji Tsuda, Tejs Vegge, O Anatole von Lilienfeld, Aron Walsh
Accelerated chemical science with AI. Digital discovery 3 (1) (2023)
Andrejs Tučs, Francois Berenger, Akiko Yumoto, Ryo Tamura, Takanori Uzawa, Koji Tsuda
Quantum Annealing Designs Nonhemolytic Antimicrobial Peptides in a Discrete Latent Space. ACS medicinal chemistry letters 14 (5) (2023)
Seoin Back, Alán Aspuru-Guzik, Michele Ceriotti, Ganna Gryn'ova, Bartosz A Grzybowski, Geun Ho Gu, Jason E Hein, Kedar Hippalgaonkar, Rodrigo Hormázabal, Yousung Jung, Seonah Kim, Woo Youn Kim, Seyed Mohamad Moosavi, Juhwan Noh, Changyoung Park, Joshua Schrier, Philippe Schwaller, Koji Tsuda, Tejs Vegge, O Anatole von Lilienfeld, Aron Walsh
Accelerated chemical science with AI. Digital discovery 3 (1) (2023)
Atsuyuki Nakao, Yu Harabuchi, Satoshi Maeda, Koji Tsuda
Exploring the Quantum Chemical Energy Landscape with GNN-Guided Artificial Force. Journal of chemical theory and computation (2023)
Andrejs Tučs, Francois Berenger, Akiko Yumoto, Ryo Tamura, Takanori Uzawa, Koji Tsuda
Quantum Annealing Designs Nonhemolytic Antimicrobial Peptides in a Discrete Latent Space. ACS medicinal chemistry letters 14 (5) (2023)
Kei Terayama, Yamato Osaki, Takehiro Fujita, Ryo Tamura, Masanobu Naito, Koji Tsuda, Toru Matsui, Masato Sumita
Koopmans' Theorem-Compliant Long-Range Corrected (KTLC) Density Functional Mediated by Black-Box Optimization and Data-Driven Prediction for Organic Molecules. Journal of chemical theory and computation (2023)
Atsuyuki Nakao, Yu Harabuchi, Satoshi Maeda, Koji Tsuda
Exploring the Quantum Chemical Energy Landscape with GNN-Guided Artificial Force. Journal of chemical theory and computation 19 (3) (2023)
Atsuyuki Nakao, Yu Harabuchi, Satoshi Maeda, Koji Tsuda
Exploring the Quantum Chemical Energy Landscape with GNN-Guided Artificial Force. Journal of chemical theory and computation 19 (3) (2023)
Francois Berenger, Koji Tsuda
3D-Sensitive Encoding of Pharmacophore Features. Journal of chemical information and modeling (2023)
Atsuyuki Nakao, Yu Harabuchi, Satoshi Maeda, Koji Tsuda
Exploring the Quantum Chemical Energy Landscape with GNN-Guided Artificial Force. Journal of chemical theory and computation 19 (3) (2023)
Masato Sumita, Kei Terayama, Naoya Suzuki, Shinsuke Ishihara, Ryo Tamura, Mandeep K Chahal, Daniel T Payne, Kazuki Yoshizoe, Koji Tsuda
De novo creation of a naked eye-detectable fluorescent molecule based on quantum chemical computation and machine learning. Science advances 8 (10) (2022)
Masato Sumita, Kei Terayama, Ryo Tamura, Koji Tsuda
QCforever: A Quantum Chemistry Wrapper for Everyone to Use in Black-Box Optimization. Journal of chemical information and modeling 62 (18) (2022)
Atsuyuki Nakao, Yu Harabuchi, Satoshi Maeda, Koji Tsuda
Leveraging algorithmic search in quantum chemical reaction path finding. Physical chemistry chemical physics : PCCP 24 (17) (2022)
Xiaolin Sun, Ryo Tamura, Masato Sumita, Kenichi Mori, Kei Terayama, Koji Tsuda
Integrating Incompatible Assay Data Sets with Deep Preference Learning. ACS medicinal chemistry letters 13 (1) (2021)
Kei Terayama, Masato Sumita, Michio Katouda, Koji Tsuda, Yasushi Okuno
Efficient Search for Energetically Favorable Molecular Conformations against Metastable States via Gray-Box Optimization. Journal of chemical theory and computation 17 (8) (2021)
Zhufeng Hou, Yoshiki Takagiwa, Yoshikazu Shinohara, Yibin Xu, Koji Tsuda
First-principles study of electronic structures and elasticity of Al2Fe3Si3. Journal of physics. Condensed matter : an Institute of Physics journal 33 (19) (2021)
Kei Terayama, Masato Sumita, Ryo Tamura, Koji Tsuda
Black-Box Optimization for Automated Discovery. Accounts of chemical research 54 (6) (2021)
Yoshiki Takagiwa, Zhufeng Hou, Koji Tsuda, Teruyuki Ikeda, Hiroyasu Kojima
Fe-Al-Si Thermoelectric (FAST) Materials and Modules: Diffusion Couple and Machine-Learning-Assisted Materials Development. ACS applied materials & interfaces 13 (45) (2021)
Ryosuke Shibukawa, Shoichi Ishida, Kazuki Yoshizoe, Kunihiro Wasa, Kiyosei Takasu, Yasushi Okuno, Kei Terayama, Koji Tsuda
CompRet: a comprehensive recommendation framework for chemical synthesis planning with algorithmic enumeration. Journal of cheminformatics 12 (1) (2020)
Peng-Jian Yang, Mahito Sugiyama, Koji Tsuda, Takeshi Yanai
Artificial Neural Networks Applied as Molecular Wave Function Solvers. Journal of chemical theory and computation 16 (6) (2020)
Kei Terayama, Ai Shinobu, Koji Tsuda, Kazuhiro Takemura, Akio Kitao
evERdock BAI: Machine-learning-guided selection of protein-protein complex structure. The Journal of chemical physics 151 (21) (2019)
Zhufeng Hou, Yoshiki Takagiwa, Yoshikazu Shinohara, Yibin Xu, Koji Tsuda
Machine-Learning-Assisted Development and Theoretical Consideration for the Al2Fe3Si3 Thermoelectric Material. ACS applied materials & interfaces 11 (12) (2019)
Thaer M Dieb, Zhufeng Hou, Koji Tsuda
Structure prediction of boron-doped graphene by machine learning. The Journal of chemical physics 148 (24) (2018)
Kota Shiba, Ryo Tamura, Takako Sugiyama, Yuko Kameyama, Keiko Koda, Eri Sakon, Kosuke Minami, Huynh Thien Ngo, Gaku Imamura, Koji Tsuda, Genki Yoshikawa
Functional Nanoparticles-Coated Nanomechanical Sensor Arrays for Machine Learning-Based Quantitative Odor Analysis. ACS sensors 3 (8) (2018)
Yutaka Saito, Misaki Oikawa, Hikaru Nakazawa, Teppei Niide, Tomoshi Kameda, Koji Tsuda, Mitsuo Umetsu
Machine-Learning-Guided Mutagenesis for Directed Evolution of Fluorescent Proteins. ACS synthetic biology 7 (9) (2018)
Xiufeng Yang, Kazuki Yoshizoe, Akito Taneda, Koji Tsuda
RNA inverse folding using Monte Carlo tree search. BMC bioinformatics 18 (1) (2017)
Yasunobu Nohara, Eiko Kai, Partha Pratim Ghosh, Rafiqul Islam, Ashir Ahmed, Masahiro Kuroda, Sozo Inoue, Tatsuo Hiramatsu, Michio Kimura, Shuji Shimizu, Kunihisa Kobayashi, Yukino Baba, Hisashi Kashima, Koji Tsuda, Masashi Sugiyama, Mathieu Blondel, Naonori Ueda, Naohiro Mitsutake, Naoki Nakashima
Health checkup and telemedical intervention program for preventive medicine in developing countries: verification study. Journal of medical Internet research 17 (1) (2015)