Predictive modeling by deep learning, virtual screening and molecular dynamics study of natural compounds against SARS-CoV-2 main protease
Tanuja Joshi, Tushar Joshi, Hemlata Pundir, Priyanka Sharma, Shalini Mathpal, Subhash Chandra
Abstract
). From this study, we can suggest that the identified natural compounds may be considered for therapeutic development against the SARS-CoV-2.Communicated by Ramaswamy H. Sarma.
Topics & Concepts
Virtual screeningCoronavirus disease 2019 (COVID-19)Mean squared errorSevere acute respiratory syndrome coronavirus 2 (SARS-CoV-2)Mean absolute errorMolecular dynamicsDeep learningProteaseArtificial intelligenceMachine learningChemistryComputer scienceInfectious disease (medical specialty)MedicineMathematicsStatisticsEnzymeBiochemistryComputational chemistryDiseasePathologyComputational Drug Discovery MethodsDiverse Scientific Research StudiesMachine Learning in Bioinformatics