Virtual screening and molecular dynamics simulation of natural compounds as potential inhibitors of serine/threonine kinase 16 for anticancer drug discovery
Dhurgham Al-Fahad, Georcki Ropón‐Palacios, Damilola A. Omoboyowa, Gagandeep Singh, Rajesh B. Patil
Topics & Concepts
Virtual screeningDrug discoveryThreonineKinaseMolecular dynamicsChemistrySerineDrugCombinatorial chemistryComputational biologyAnticancer drugPharmacologyNanotechnologyBiochemistryPhosphorylationBiologyMaterials scienceComputational chemistryProtein Structure and DynamicsComputational Drug Discovery MethodsEnzyme Structure and Function