Drug repurposing for coronavirus (COVID-19): in silico screening of known drugs against coronavirus 3CL hydrolase and protease enzymes - Elmezayen, Ammar D.; Al-Obaidi, Anas; Şahin, Alp Tegin; Yelekçi, Kemal (Journal of biomolecular structure & dynamics, 2021)
Keywords: ADMET; COVID-19; homology modeling; MD simulation; MM-PBSA; structure-based virtual screening; COVID-19; MD simulation; MM-PBSA; homology modeling; structure-based virtual screening; ADMET