Presentation Information
[C-240P]Solvent search for structural polysaccharides through integrated molecular simulation and machine learning
○Shota Shindo1, Yu Kaneko2, Takuya Uto3 (1. Graduate School of Engineering, University of Miyazaki, Nishi 1-1 Gakuen-Kibanadai, Miyazaki, Japan, 2. Digital Strategy Center, Daicel Corporation, 3-1 Ofuka-cho, Kita-ku, Osaka, Japan, 3. Faculty of Engineering, University of Miyazaki, Nishi 1-1 Gakuen-Kibanadai, Miyazaki, Japan)
Keywords:
solvent search,cellulose,chitin,molecular dynamics,deep learning