Skip to main content
padlock icon - secure page this page is secure

Functional Dynamics of Proteins Elucidated by Statistical Analysis of Simulation Data

Buy Article:

$63.00 + tax (Refund Policy)

Conformational dynamics and flexibility form the link between protein structure and function. Molecular dynamics (MD) simulations have been valuable for our understanding of conformational energy landscape and protein dynamics at the atomic scale, which is difficult to probe experimentally. In this respect, the essential dynamics of proteins revealed by principal component analysis of MD simulation data provide information on functional motions that generally bear a collective nature. In this review, we summarize literature on statistical analysis of MD data with an emphasis on recent promising methods that can be applied to study the effect of ligand binding.
No References
No Citations
No Supplementary Data
No Article Media
No Metrics

Keywords: Collective motions; Ligand binding; Molecular dynamics simulations; Nonlinear dynamics; Principal component analysis; Time series model

Document Type: Research Article

Publication date: 01 December 2012

More about this publication?
  • Current Physical Chemistry publishes full-length and short reviews, and topical issues on the important recent developments in physical chemistry and allied disciplines.The scope of the journal covers all areas of physical chemistry, including surface science, colloids and interfaces, thermodynamics, spectroscopy, molecular structure, solid state chemistry, catalysis, kinetics, theoretical chemistry, chemical physics and biophysical chemistry.Current Physical Chemistry is an essential journal for every physical chemist who wishes to be kept informed and up-to-date with the latest and most important developments.
  • Editorial Board
  • Information for Authors
  • Subscribe to this Title
  • Ingenta Connect is not responsible for the content or availability of external websites
  • Access Key
  • Free content
  • Partial Free content
  • New content
  • Open access content
  • Partial Open access content
  • Subscribed content
  • Partial Subscribed content
  • Free trial content
Cookie Policy
X
Cookie Policy
Ingenta Connect website makes use of cookies so as to keep track of data that you have filled in. I am Happy with this Find out more