Multi-step molecular docking and dynamics simulation-based screening of large antiviral specific chemical libraries for identification of Nipah virus glycoprotein inhibitors
Malti Sanjay Kalbhor, Shovonlal Bhowmick, Amer M. Alanazi, Pritee Chunarkar Patil, Md Ataul Islam
Topics & Concepts
In silicoDocking (animal)Molecular mechanicsMolecular dynamicsChemistryGlycoproteinVirologyComputational biologyBiologyBiochemistryMedicineComputational chemistryGeneVeterinary medicineVirology and Viral Diseasesvaccines and immunoinformatics approachesMosquito-borne diseases and control