Mutation-mediated influences on binding of anaplastic lymphoma kinase to crizotinib decoded by multiple replica Gaussian accelerated molecular dynamics
Jianzhong Chen, Wei Wang, Haibo Sun, Laixue Pang, Baohua Yin
Topics & Concepts
CrizotinibAnaplastic lymphoma kinaseMolecular dynamicsMutationCancer researchALK inhibitorPoint mutationDrug resistanceMolecular mechanicsBiologyGeneticsChemistryGeneMedicineComputational chemistryOncologyLung cancerMalignant pleural effusionCancer therapeutics and mechanismsQuinazolinone synthesis and applicationsLung Cancer Treatments and Mutations