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.
journal_name
Methods Enzymoljournal_title
Methods in enzymologyauthors
Kass I,Reboul CF,Buckle AMdoi
10.1016/B978-0-12-385950-1.00014-6subject
Has Abstractpub_date
2011-01-01 00:00:00pages
295-323eissn
0076-6879issn
1557-7988pii
B978-0-12-385950-1.00014-6journal_volume
501pub_type
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