Formation of secondary and supersecondary structure of proteins as a result of coupling between local and backbone-electrostatic interactions: a view through cluster-cumulant scope
Józef Adam Liwo , Adam Sieradzan , Cezary Czaplewski
AbstractThe secondary structure of proteins results from both local and long-range interactions, the latter being primarily backbone hydrogen bonding. In this chapter, based on our recent work, we suggest that the striking regularity of secondary structure can be described, in a semi-analytical manner, in terms of Kubo cluster cumulants (corresponding to the expansion of the protein’s potential of mean force) that originate from the coupling between the backbone-local and backbone-electrostatic interactions. This finding is illustrated by the analysis of the Protein Data Bank statistics. Examples demonstrating the importance of the coupling terms in coarse-grained treatment of proteins are also presented.
|Journal series||Methods in molecular biology (Clifton, N.J.), ISSN 1064-3745, (N/A 70 pkt)|
|Publication size in sheets||0.65|
|Keywords in English||Coarse graining, potential of mean force, Kubo cluster cumulants, local and electrostatic interactions, coupling terms, UNRES force field|
|Score||= 70.0, 29-05-2020, ArticleFromJournal|
|Publication indicators||= 0; : 2018 = 0.404|
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