Pharmacophore modeling, virtual screening, molecular docking and dynamics studies for the discovery of HER2-tyrosine kinase inhibitors: An in-silico approach
Gurubasavaraja Swamy Purawarga Matada, Prasad Sanjay Dhiwar, Nahid Abbas, Ekta Singh, Abhishek Ghara, Rajesh B. Patil, Nulgumnalli Manjunathaiah Raghavendra
Topics & Concepts
PharmacophoreIn silicoChemistryVirtual screeningComputational biologyMolecular dynamicsDocking (animal)Drug discoveryMolecular modelTarget proteinBiochemistryComputational chemistryBiologyGeneMedicineNursingMonoclonal and Polyclonal Antibodies ResearchComputational Drug Discovery MethodsHER2/EGFR in Cancer Research