Article
Simulated force-induced unfolding of alpha-helices: dependence of stretching stability on primary sequence.
Physical chemistry chemical physics : PCCP - 7 May 2005
Li Zhiying, Arteca Gustavo A
Abstract excerpt
Some of the principles that determine a protein's native fold can be probed with techniques for single-molecule manipulation. Yet, understanding the effects of an external force at atomic level still requires computer simulations. Here, we employ a novel protocol for steered molecular dynamics that allows for internal energy redistribution (and possibly, re-equilibration) while the molecule is subject to a...
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