Coupling between energy and residue position fluctuations in native proteins

Mert Gur*, Burak Erman

*Corresponding author for this work

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

Abstract

The coupling between energy fluctuations and positional fluctuations in molecular dynamics trajectories of Crambin at 310 K is studied. Coupling with energy fluctuation is evaluated for both atomic positions and residue positions. Couplings show values which fluctuate around the previously proposed theoretical value under harmonic approximation. The magnitude of these correlations is in agreement, on the average, with the harmonic approximation. Additionally coupling between energy fluctuations and atom-atom distance fluctuations are evaluated. This coupling indicates how much each interaction among different atoms/residues is correlated with the protein's total energy fluctuations. Some atom's/residue's interactions have shown outstanding correlation. Moreover coupling of residue fluctuations between different modes is studied.

Original languageEnglish
Title of host publication2010 5th International Symposium on Health Informatics and Bioinformatics, HIBIT 2010
Pages153-158
Number of pages6
DOIs
Publication statusPublished - 2010
Externally publishedYes
Event2010 5th International Symposium on Health Informatics and Bioinformatics, HIBIT 2010 - Antalya, Turkey
Duration: 20 Apr 201022 Apr 2010

Publication series

Name2010 5th International Symposium on Health Informatics and Bioinformatics, HIBIT 2010

Conference

Conference2010 5th International Symposium on Health Informatics and Bioinformatics, HIBIT 2010
Country/TerritoryTurkey
CityAntalya
Period20/04/1022/04/10

Keywords

  • Component
  • Energy gates
  • Mode coupling

Fingerprint

Dive into the research topics of 'Coupling between energy and residue position fluctuations in native proteins'. Together they form a unique fingerprint.

Cite this