Drug repurposing for SARS-CoV-2: a high-throughput molecular docking, molecular dynamics, machine learning, and DFT study
Jatin Kashyap, Dibakar Datta
Topics & Concepts
In silicoLopinavirDocking (animal)RepurposingDrug repositioningDrug discoveryPandemicRitonavirDrugCoronavirus disease 2019 (COVID-19)Computational biologyVirologyInfectious disease (medical specialty)NanotechnologyBiologyPharmacologyMedicineDiseaseMaterials scienceBioinformaticsViral loadVirusGeneticsVeterinary medicineGenePathologyEcologyAntiretroviral therapyComputational Drug Discovery MethodsDiverse Scientific Research StudiesCOVID-19 Clinical Research Studies