Structural insights on the interaction potential of natural leads against major protein targets of SARS-CoV-2: Molecular modelling, docking and dynamic simulation studies
Sinosh Skariyachan, Dharshini Gopal, Aditi G. Muddebihalkar, Akshay Uttarkar, Vidya Niranjan
Topics & Concepts
Docking (animal)Molecular dynamicsVirtual screeningSmall moleculeDrugDrug designDrug discoveryChemistryInteraction energyComputational biologyAutoDockMoleculeCombinatorial chemistryComputational chemistryIn silicoPharmacologyBiologyBiochemistryMedicineNursingOrganic chemistryGeneComputational Drug Discovery MethodsSynthesis and biological activityResearch on Leishmaniasis Studies