The 101st CSJ Annual Meeting

Presentation information

Cancelled

Academic Program [Oral A]

02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry » Oral A

[A02-2am] 02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Sat. Mar 20, 2021 9:00 AM - 11:00 AM Room 2 (Online Meeting)

Chair:Yasuteru Shigeta, Nobuyuki Matubayasi, Masanori Tachikawa

9:40 AM - 9:50 AM

[A02-2am-05] Comparative Molecular Field Analysis for Improving the Enantioselectivity of an Enzymatic Reaction

○Riku Ukyo1, Hirofumi Sato1,2,3, Masahiro Higashi1,2 (1. Kyoto Univ., 2. Kyoto Univ. ESICB, 3. Kyoto Univ. FIFC)

[Lang.] Japanese

Keywords:Comparative Molecular Field Analysis, MD simulation, QM/MM calculation, Enzymatic Reaction