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Coarse-grained representation of protein flexibility. Foundations, Successes, and Shortcomings
, Orozco M., Orellana L., Hospital A., Emperador A., Carrillo O., Gelpí J.L.
Published in Academic Press Inc.
2011
Volume: 85
   
Pages: 183 - 215
Abstract
Flexibility is the key magnitude to understand the variety of functions of proteins. Unfortunately, its experimental study is quite difficult, and in fact, most experimental procedures are designed to reduce flexibility and allow a better definition of the structure. Theoretical approaches have become then the alternative but face serious timescale problems, since many biologically relevant deformation movements happen in a timescale that is far beyond the possibility of current atomistic models. In this complex scenario, coarse-grained simulation methods have emerged as a powerful and inexpensive alternative. Along this chapter, we will review these coarse-grained methods, and explain their physical foundations and their range of applicability. © 2011 Elsevier Inc.
About the journal
JournalAdvances in Protein Chemistry and Structural Biology
PublisherAcademic Press Inc.
ISSN18761623
Open AccessNo