Loading...

Markov State Model Reveals Folding and Functional Dynamics in Ultra-Long MD Trajectories

Two strategies have been recently employed to push molecular simulation to long, biologically relevant timescales: projection-based analysis of results from specialized hardware producing a small number of ultra-long trajectories and the statistical interpretation of massive parallel sampling perfor...

Full description

Saved in:
Bibliographic Details
Main Authors: Lane, Thomas J., Bowman, Gregory R., Beauchamp, Kyle, Voelz, Vincent A., Pande, Vijay S.
Format: Artigo
Language:Inglês
Published: 2011
Subjects:
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC3227799/
https://ncbi.nlm.nih.gov/pubmed/21988563
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ja207470h
Tags: Add Tag
No Tags, Be the first to tag this record!