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

[30P-pm125S] Structural features of the complex between SARS-CoV-2 main protease and Nilmatrelvir by molecular dynamics simulations

○Tadashi Kiyoi¹, Tomoki Nakayoshi^1,2, Koichi Kato^1,3, Eiji Kurimoto¹, Akifumi Oda^1,4 (1. Meijo Univ., 2. Hiroshima City Univ., 3. Shonan Univ. Med. Sci., 4. Osaka Univ.)

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