Kazuki Akisawa

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

Interaction Analysis on the SARS-CoV-2 Spike Protein Receptor Binding Domain Using Visualization of the Interfacial Electrostatic Complementarity

Takeshi Ishikawa, Hiroki Ozono, Kazuki Akisawa et al. · The Journal of Physical Chemistry Letters · 2021 · 20 citations

Fragment molecular orbital based interaction analyses on complexes between SARS-CoV-2 RBD variants and ACE2

Kazuki Akisawa, Ryo Hatada, Koji Okuwaki et al. · Japanese Journal of Applied Physics · 2021 · 13 citations · Full text

Fragment Molecular Orbital, Viral Pathogenesis, Immunology +19