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"High-Precision Atomic Charge Prediction for Protein Systems Using Fragment ..."
Koichiro Kato et al. (2020)
- 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)
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