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Fatgraph models of proteins
Author(s) -
Penner R. C.,
Knudsen Michael,
Wiuf Carsten,
Andersen Jørgen Ellegaard
Publication year - 2010
Publication title -
communications on pure and applied mathematics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 3.12
H-Index - 115
eISSN - 1097-0312
pISSN - 0010-3640
DOI - 10.1002/cpa.20340
Subject(s) - representation (politics) , theoretical computer science , object (grammar) , computer science , mathematics , algorithm , artificial intelligence , politics , political science , law
We introduce a new model of proteins that extends and enhances the traditional graphical representation by associating a combinatorial object called a fatgraph to any protein based upon its intrinsic geometry. Fatgraphs can easily be stored and manipulated as triples of permutations, and these methods are therefore amenable to fast computer implementation. Applications include the refinement of structural protein classifications and the prediction of geometric and other properties of proteins from their chemical structures. © 2010 Wiley Periodicals, Inc.