Presentation Information
[B1-P203-28]Development of a Machine Learning Model to Predict Quantum Mechanical Interaction Energies Between Proteins and Ligands
*Yuta Kawaura1, Ryosuke Kita1, Hiromu Matsumoto1, Chiduru Watanabe2, Masateru Ohta2, Naoki Tanimura3, Koji Okuwaki4, Mitsunori Ikeguchi2,5, Kaori Fukuzawa6, Teruki Honma2, Tsuyohiko Fujigaya1, Koichiro Kato1 (1. Kyushu Univ. (Japan), 2. RIKEN (Japan), 3. Mizuho Research & Technologies, Ltd. (Japan), 4. JSOL Corp. (Japan), 5. Yokohama City Univ. (Japan), 6. Osaka Univ. (Japan))
Keywords:
Protein-ligand interaction,Fragment molecular orbital method (FMO),Machine learning