Dynamic design: manipulation of millisecond timescale motions on the energy landscape of Cyclophilin A
J. Juarez-Jimenez, A. A. Gupta, G. Karunanithy, A. Mey, C. Georgiou, C. Ioannidis, A. De Simone, P. N. Barlow, A. N. Hulme, M. D. Walkinshaw, A. J. Baldwin, J. Michel
The paper uses accelerated MD and MSM to study millisecond timescale conformational dynamics of CypA, identifying key states and validating predictions with NMR.
bioRxiv · Sep 17, 2019Biophysics