Small molecule therapeutics to destabilize the ACE2-RBD complex: A molecular dynamics study
Meghdad Razizadeh, Mehdi Nikfar, Yaling Liu
Topics & Concepts
DruggabilityMolecular dynamicsSmall moleculeDocking (animal)ChemistryComputational biologyCoronavirusCoronavirus disease 2019 (COVID-19)BiologyInfectious disease (medical specialty)MedicineDiseaseBiochemistryGeneComputational chemistryNursingPathologyComputational Drug Discovery MethodsSARS-CoV-2 and COVID-19 ResearchCancer therapeutics and mechanisms