Gyration- and Inertia-Tensor-Based Collective Coordinates for Metadynamics. Application on the Conformational Behavior of Polyalanine Peptides and Trp-Cage Folding
Vymětal, Jiří, Vondrášek, JiříVolume:
115
Language:
english
Journal:
The Journal of Physical Chemistry A
DOI:
10.1021/jp2065612
Date:
October, 2011
File:
PDF, 6.96 MB
english, 2011