Conformational Sampling of CPT1A Enables Dynamic Structure-Based Ligand Screening
Carnitine palmitoyltransferase 1A (CPT1A) catalyzes a rate-limiting step in fatty acid β-oxidation and is a target for studies of metabolic disease and cancer. However, the structural dynamics of CPT1A remain poorly understood due to the lack of full-length structure. In this study, we employed an integrated computatio...