Molecular recognition of SARS-CoV-2 spike glycoprotein: quantum chemical hot spot and epitope analyses.
PMID:35355624
A Study on the Effect of the Substituent against PAK4 Inhibition Using In Silico Methods.
PMID:35328758
Special Features of COVID-19 in the FMODB: Fragment Molecular Orbital Calculations and Interaction Energy Analysis of SARS-CoV-2-Related Proteins.
PMID:34506132
Non-conventional interactions of N3 inhibitor with the main protease of SARS-CoV and SARS-CoV-2.
PMID:34401047
Intermolecular Interaction Analyses on SARS-CoV-2 Spike Protein Receptor Binding Domain and Human Angiotensin-Converting Enzyme 2 Receptor-Blocking Antibody/Peptide Using Fragment Molecular Orbital Calculation.
PMID:33881894