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. 2021 Nov 19;22(22):12511. doi: 10.3390/ijms222212511
FLT3 FMS-like tyrosine kinase-3
AML acute myeloid leukemia
MM-PB(GB)SA Molecular Mechanics Poison–Boltzmann/Generalized Born Surface Area
LIE linear interaction energy
BE binding Energy
CoMFA comparative molecular field analysis
CoMSIA comparative molecular similarity indices analysis
3D-QSAR three-dimensional structure–activity relationship