Yuma Handa

Fragment Molecular Orbital Based Interaction Analyses on COVID-19 Main Protease − Inhibitor N3 Complex (PDB ID: 6LU7)

Ryo Hatada, Koji Okuwaki, Yuji Mochizuki et al. · Journal of Chemical Information and Modeling · 2020 · 120 citations · Full text

Fragment Molecular Orbital, Virus Structure, Biochemistry +15

Statistical interaction analyses between SARS-CoV-2 main protease and inhibitor N3 by combining molecular dynamics simulation and fragment molecular orbital calculation

Ryo Hatada, Koji Okuwaki, Kazuki Akisawa et al. · Applied Physics Express · 2021 · 28 citations · Full text

Protein Assembly, Relative Importance, Molecular Biology +16

Special Features of COVID-19 in the FMODB: Fragment Molecular Orbital Calculations and Interaction Energy Analysis of SARS-CoV-2-Related Proteins

Kaori Fukuzawa, Koichiro Kato, Chiduru Watanabe et al. · Journal of Chemical Information and Modeling · 2021 · 23 citations

Fragment Molecular Orbital, Structural Bioinformatics, Biomolecular Structure Prediction +22

Prediction of Binding Pose and Affinity of Nelfinavir, a SARS-CoV-2 Main Protease Repositioned Drug, by Combining Docking, Molecular Dynamics, and Fragment Molecular Orbital Calculations

Yuma Handa, Koji Okuwaki, Yusuke Kawashima et al. · The Journal of Physical Chemistry B · 2024 · 23 citations · Full text