[27V04-am] タンパク質科学

[27V04-am12S] Fragment molecular orbital calculations on prediction of binding of existing drugs to SARS-CoV-2 main protease combined with molecular dynamics simulation

○yuma handa¹, Yusuke Kawashima¹, Ryo Hatada², Koji Okuwaki², Yuji Mochizuki², Yuto Komeiji³, Shigenori Tanaka⁴, Teruki Honma⁵, Takayuki Furuishi¹, Kaori Fukuzawa^1,6, Etuo Yonemochi¹ (1. Hoshi University, 2. Department of Chemistry & Research Center for Smart Molecules, Faculty of Science, Rikkyo University, 3. Health and Medical Research Institute, AIST, 4. Graduate School of System Informatics, Department of Computational Science, Kobe University, 5. Riken, 6. Department of Biomolecular Engineering, Graduate School of Engineering, Tohoku University)