Discovering inhibitors of TEAD palmitate binding pocket through virtual screening and molecular dynamics simulation
Yimin Li, Yaqi Li, Chao Ning, Jianda Yue, Cheng Zhang, Xiao He, Ying Wang, Zhonghua Liu
Topics & Concepts
Hippo signaling pathwayVirtual screeningEffectorPalmitoylationTranscription factorMolecular dynamicsMolecular mechanicsChemistryCell biologyBiologyComputational biologyCancer researchGeneBiochemistryCysteineEnzymeComputational chemistryHippo pathway signaling and YAP/TAZLipid metabolism and biosynthesis