Multifunctional inhibitors of SARS-CoV-2 by MM/PBSA, essential dynamics, and molecular dynamic investigations
K. Amith Kumar, Monica Sharma, Vikram Dalal, Vishakha Singh, Shailly Tomar, Pravindra Kumar
Topics & Concepts
PI3K/AKT/mTOR pathwayMolecular dynamicsMolecular mechanicsProteaseVirtual screeningComputational biologyProtein kinase BBiologyChemistryCell biologySignal transductionBiochemistryEnzymeComputational chemistrySynthesis and biological activityPhytochemical compounds biological activitiesResearch on Leishmaniasis Studies