Sequence-based Gaussian network model for protein dynamics.

ABSTRACT:

Motivation

Gaussian network model (GNM) is widely adopted to analyze and understand protein dynamics, function and conformational changes. The existing GNM-based approaches require atomic coordinates of the corresponding protein and cannot be used when only the sequence is known.

Results

We report, first of its kind, GNM model that allows modeling using the sequence. Our linear regression-based, parameter-free, sequence-derived GNM (L-pfSeqGNM) uses contact maps predicted from the sequence and models local, in the sequence, contact neighborhoods with the linear regression. Empirical benchmarking shows relatively high correlations between the native and the predicted with L-pfSeqGNM B-factors and between the cross-correlations of residue fluctuations derived from the structur

SUBMITTER: Zhang H 

PROVIDER: S-EPMC3928524 | biostudies-literature | 2014 Feb

REPOSITORIES: biostudies-literature