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Pharmacophore development, drug-likeness analysis, molecular docking, and molecular dynamics simulations for identification of new CK2 inhibitors

Sara Hammad, Souhila Terrachet-Bouaziz, Rosa Meghnem, Dalila Meziane

2020Journal of Molecular Modeling34 citationsDOI

Topics & Concepts

PharmacophoreMolecular dynamicsDocking (animal)Virtual screeningChemistryProtein–ligand dockingMolecular modelComputational chemistryHydrogen bondStereochemistryComputational biologyMoleculeBiologyOrganic chemistryMedicineNursingComputational Drug Discovery MethodsEnzyme function and inhibitionProtein Kinase Regulation and GTPase Signaling
Pharmacophore development, drug-likeness analysis, molecular docking, and molecular dynamics simulations for identification of new CK2 inhibitors | Litcius