S. Kuyucak

Conformational Ensemble and Stabilization of Insulin by a Choline Ionic Liquid Elucidated through Markov State Models.

Proteins in solution continually fluctuate between conformational states, and these dynamics play a central role in their structural and colloidal stability. Using molecular dynamics simulations, we show that insulin exists as a conformational ensemble in solution, which can be quantitatively described using a Markov s...