Coming Soon, Volume 37, Issue 13
Journal of Computational Chemistry · 2016
On page 1139 Yasushige Yonezawa presents a simple, efficient method to predict natural transition pathways between two endpoint states of an allosteric protein.Multiple iterative molecular dynamics simulations guided by different distance matrices provide an approach for identifying states involving concerted slow motion.A series of structures are readily generated along the transition pathways of adenylate kinase.