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Pharmacophore screening, molecular docking, ADMET prediction and MD simulations for identification of ALK and MEK potential dual inhibitors

Haoran Zhang, Lichuan Zhang, Chenglong Gao, Rilei Yu, Congmin Kang

2021Journal of Molecular Structure19 citationsDOI

Topics & Concepts

ChemistryPharmacophoreDocking (animal)Virtual screeningComputational biologyProtein–ligand dockingIdentification (biology)Combinatorial chemistryStereochemistryBotanyNursingBiologyMedicineLung Cancer Treatments and MutationsCancer therapeutics and mechanismsCancer Mechanisms and Therapy
Pharmacophore screening, molecular docking, ADMET prediction and MD simulations for identification of ALK and MEK potential dual inhibitors | Litcius