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收藏Enhanced Coarse-Grained Molecular Dynamics Simulation with a Smoothed Hybrid Potential Using a Neural Network Model
Kanada, Ryo; Tokuhisa, Atsushi; Nagasaka, Yusuke; Okuno, Shingo; Amemiya, Koichiro; Chiba, Shuntaro; Bekker, Gert-Jan; Kamiya, Narutoshi; Kato, Koichiro; Okuno, Yasushi
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收藏Protein-ligand binding affinity prediction of cyclin-dependent kinase-2 inhibitors by dynamically averaged fragment molecular orbital-based interaction energy
Takaba, Kenichiro; Watanabe, Chiduru; Tokuhisa, Atsushi; Akinaga, Yoshinobu; Ma, Biao; Kanada, Ryo; Araki, Mitsugu; Okuno, Yasushi; Kawashima, Yusuke; Moriwaki, Hirotomo; Kawashita, Norihito; Honma, Teruki; Fukuzawa, Kaori; Tanaka, Shigenori
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收藏Machine learning to estimate the local quality of protein crystal structures
Miyaguchi, Ikuko; Sato, Miwa; Kashima, Akiko; Nakagawa, Hiroyuki; Kokabu, Yuichi; Ma, Biao; Matsumoto, Shigeyuki; Tokuhisa, Atsushi; Ohta, Masateru; Ikeguchi, Mitsunori
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收藏High-Precision Atomic Charge Prediction for Protein Systems Using Fragment Molecular Orbital Calculation and Machine Learning
Kato, Koichiro; Masuda, Tomohide; Watanabe, Chiduru; Miyagawa, Naoki; Mizouchi, Hideo; Nagase, Shumpei; Kamisaka, Kikuko; Oshima, Kanji; Ono, Satoshi; Ueda, Hiroshi; Tokuhisa, Atsushi; Kanada, Ryo; Ohta, Masateru; Ikeguchi, Mitsunori; Okuno, Yasushi; Fukuzawa, Kaori; Honma, Teruki
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收藏A compact X-ray free-electron laser emitting in the sub-angstrom region
Ishikawa, Tetsuya; Aoyagi, Hideki; Asaka, Takao; Asano, Yoshihiro; Azumi, Noriyoshi; Bizen, Teruhiko; Ego, Hiroyasu; Fukami, Kenji; Fukui, Toru; Furukawa, Yukito; Goto, Shunji; Hanaki, Hirofumi; Hara, Toru; Hasegawa, Teruaki; Hatsui, Takaki; Higashiya, Atsushi; Hirono, Toko; Hosoda, Naoyasu; Ishii, Miho; Inagaki, Takahiro; Inubushi, Yuichi; Itoga, Toshiro; Joti, Yasumasa; Kago, Masahiro; Kameshima, Takashi; Kimura, Hiroaki; Kirihara, Yoichi; Kiyomichi, Akio; Kobayashi, Toshiaki; Kondo, Chikara; Kudo, Togo; Maesaka, Hirokazu; Marechal, Xavier M.; Masuda, Takemasa; Matsubara, Shinichi; Matsumoto, Takahiro; Matsushita, Tomohiro; Matsui, Sakuo; Nagasono, Mitsuru; Nariyama, Nobuteru; Ohashi, Haruhiko; Ohata, Toru; Ohshima, Takashi; Ono, Shun; Otake, Yuji; Saji, Choji; Sakurai, Tatsuyuki; Sato, Takahiro; Sawada, Kei; Seike, Takamitsu; Shirasawa, Katsutoshi; Sugimoto, Takashi; Suzuki, Shinsuke; Takahashi, Sunao; Takebe, Hideki; Takeshita, Kunikazu; Tamasaku, Kenji; Tanaka, Hitoshi; Tanaka, Ryotaro; Tanaka, Takashi; Togashi, Tadashi; Togawa, Kazuaki; Tokuhisa, Atsushi; Tomizawa, Hiromitsu; Tono, Kensuke; Wu, Shukui; Yabashi, Makina; Yamaga, Mitsuhiro; Yamashita, Akihiro; Yanagida, Kenichi; Zhang, Chao; Shintake, Tsumoru; Kitamura, Hideo; Kumagai, Noritaka
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