Ryo Hatada

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

Interaction analyses of SARS-CoV-2 spike protein based on fragment molecular orbital calculations

Kazuki Akisawa, Ryo Hatada, Koji Okuwaki et al. · RSC Advances · 2021 · 35 citations · Full text

Protein Assembly, Molecular Biology, Peptide Science +20

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

Dynamic Cooperativity of Ligand–Residue Interactions Evaluated with the Fragment Molecular Orbital Method

Shigenori Tanaka, Shusuke Tokutomi, Ryo Hatada et al. · The Journal of Physical Chemistry B · 2021 · 24 citations

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