Molecular dynamic simulation suggests stronger interaction of Omicron-spike with ACE2 than wild but weaker than Delta SARS-CoV-2 can be blocked by engineered S1-RBD fraction
Dipannita Santra, Smarajit Maiti
Topics & Concepts
ChemistryDocking (animal)Protein Data Bank (RCSB PDB)Molecular dynamicsWild typeMutantCrystallographyStereochemistryRamachandran plotBiophysicsProtein structureBiochemistryComputational chemistryBiologyNursingGeneMedicineSARS-CoV-2 and COVID-19 Researchvaccines and immunoinformatics approachesComputational Drug Discovery Methods