Abstract

This work introduces molecular nonlinear dynamics (MND) as a new approach for describing protein folding and aggregation. By using a mode system, we show that the MND of disordered proteins is chaotic while that of folded proteins exhibits intrinsically low dimensional manifolds (ILDMs). The stability of ILDMs is found to strongly correlate with protein energies. We propose a novel method for protein thermal uncertainty quantification based on persistently invariant ILDMs. Extensive comparison with experimental data and the state-of-the-art methods in the field validate the proposed new method for protein B-factor prediction.

Description

Molecular nonlinear dynamics and protein thermal uncertainty quantification

Links and resources

URL:
BibTeX key:
Xia2014MolecularNonlinearDynamics
search on:

Comments and Reviews  
(0)

There is no review or comment yet. You can write one!

Tags


Cite this publication