Linearised loop kinematics to study pathways between conformations
Antonius G. L. Hoevenaars, Ingemar André
This paper introduces the JaLT algorithm to sample conformational transitions in protein loops, demonstrating its ability to generate realistic pathways and identify energy barriers in the MET20 loop of E. coli dihydrofolate reductase.
bioRxiv · Apr 11, 2021 · PreprintBioinformatics