Format

Send to

Choose Destination
See comment in PubMed Commons below
Methods Enzymol. 2011;501:295-323. doi: 10.1016/B978-0-12-385950-1.00014-6.

Computational methods for studying serpin conformational change and structural plasticity.

Author information

1
Department of Biochemistry and Molecular Biology, Monash University, Melbourne, Victoria, Australia.

Abstract

Currently, over a hundred high-resolution structures of serpins are available, exhibiting a wide range of conformations. However, our understanding of serpin dynamics and conformational change is still limited, mainly due to challenges of monitoring structural changes and characterizing transient conformations using experimental methods. Insight can be provided, however, by employing theoretical and computational approaches. In this chapter, we present an overview of such methods, focusing on molecular dynamics and simulation. As serpin conformational dynamics span a wide range of timescales, we discuss the relative merits of each method and suggest which method is suited to specific conformational phenomena.

[Indexed for MEDLINE]
PubMed Commons home

PubMed Commons

0 comments
How to join PubMed Commons

    Supplemental Content

    Full text links

    Icon for Elsevier Science
    Loading ...
    Support Center