UPDF AI

Following easy slope paths on a free energy landscape: the case study of the Trp-cage folding mechanism.

F. Marinelli

2013 · DOI: 10.1016/j.bpj.2013.07.046
Biophysical Journal · 23 Citations

TLDR

A new method for the automatic exploration and calculation of multidimensional free energy landscapes is proposed, Inspired by metadynamics, that uses several collective variables that are relevant for the investigated process and a bias potential that discourages the sampling of already visited configurations.