Modeling the Mechanism of CLN025Beta-Hairpin Formation
K. A. McKiernan, B. E. Husic, V. S. Pande
The paper simulates CLN025 beta-hairpin folding using force fields to analyze thermodynamics, kinetics, and mechanism, finding hydrogen bond formation in the turn region is rate-limiting.
bioRxiv · Aug 25, 2017Biophysics