Targeting protein tyrosine phosphatase to unravel possible inhibitors for Streptococcus pneumoniae using molecular docking, molecular dynamics simulations coupled with free energy calculations
Zainab Zaman, Sara Khan, Faisal Nouroz, Umar Farooq, Akasha Urooj
Topics & Concepts
Molecular dynamicsDocking (animal)Active siteProtein tyrosine phosphataseBinding siteChemistryProtein–protein interactionBiologyBiophysicsComputational biologyBiochemistryEnzymeComputational chemistryMedicineNursingProtein Tyrosine PhosphatasesDiabetes and associated disordersSynthesis of Tetrazole Derivatives