Lars Skjaerven, Siv M Hollup, and Nathalie Reuter (2009)
Normal mode analysis for proteins
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 898(1-3, Sp. Iss. SI):42-48.
Proteins are dynamical objects: their structure fluctuations are often
the key to their function and keen attention need therefore be paid to
it. Molecular dynamics (MD) simulations are a widely used technique to
study dynamics of both proteins and nucleic acids. However, simulating
molecular machines containing several thousands of amino acids, on long
enough time scales to observe relevant structural deformation, remains
challenging. Normal mode analysis (NMA) is better suited to study the
slow dynamics of proteins. We briefly describe the theory underlying
NMA and the simplifications used to render it tractable for (large)
proteins. We also describe different kinds of analyses that can be
performed on the eigenvectors to characterize the dynamical properties
of the system. A number of validation studies are then summarized.
Finally we describe NMA servers available on the Internet. (C) 2008
Elsevier B.V. All rights reserved.