Gaussian accelerated molecular dynamics reveals that a proline-rich signaling peptide frequently samples cis conformations when unbound
J. Alcantara, R. Stix, K. Huang, A. Connor, R. East, V. Jaramillo-Martinez, E. J. Stollar, K. A. Ball
This study uses Gaussian accelerated molecular dynamics to simulate proline isomerization in proline-rich peptides, finding that cis conformations are frequently sampled and affect structural properties and binding potential.
bioRxiv · Jul 1, 2021Biophysics