Exploration of phytochemical compounds against Marburg virus using QSAR, molecular dynamics, and free energy landscape
Ali A. Rabaan, Muhammad A. Halwani, Mohammed Garout, Jawaher Alotaibi, Bashayer M. AlShehail, Nouf Alotaibi, Souad A. Almuthree, Ahmad A. Alshehri, Mohammed Abdulrahman Alshahrani, Basim Othman, Abdulaziz Alqahtani, Mohammed Alissa
Topics & Concepts
PhytochemicalQuantitative structure–activity relationshipIn silicoDocking (animal)Molecular dynamicsFavipiravirChemistryNucleoproteinComputational biologyStereochemistryVirusBiologyBiochemistryVirologyComputational chemistryInfectious disease (medical specialty)MedicineCoronavirus disease 2019 (COVID-19)DiseaseVeterinary medicinePathologyGeneHepatitis B Virus StudiesViral Infections and Outbreaks ResearchHepatitis Viruses Studies and Epidemiology