Projektnews Folding@Home: Using MSMs to study the effect of tryptophan mutations on folding

[P3D-Bot]

In a new paper, we describe our efforts to use Markov State Models (MSMs) to study the how tryptophan mutations affect the folding and conformational dynamics of a series of model beta-hairpin peptides. This work represents the most extensive explicit-solvent simulations of ?-hairpins to date (9.4 ms in aggregate), a feat made possible through the [...]

Weiterlesen auf der Projekthomepage