Molecular modeling, QSAR/Quantum chemical calculation, molecular mechanics, molecular dynamics/Database, data mining/Bioinformatics/Pharmaceutical physical chemistry

[30P-pm143S] Evaluating the effectiveness of FMO data and transfer learning in constructing machine learning force fields for biomolecular systems.

○Hiromu Matsumoto¹, Ryosuke Kita¹, Chiduru Watanabe², Masateru Ohta², Naoki Tanimura³, Koji Okuwaki⁴, Mitsunori Ikeguchi^2,5, Kaori Fukuzawa⁶, Teruki Honma², Tsuyohiko Fujigaya¹, Koichiro Kato¹ (1. Grad. Sch. Eng., Kyushu Univ., 2. RIKEN, 3. Mizuho Research & Technologies, Ltd., 4. JSOL Corporation, 5. Yokohama City Univ., 6. Grad. Sch. Pharm. Sci., Osaka Univ.)

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