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A geometric approach to characterize rigidity in proteins
Author(s) -
Budday Dominik,
Leyendecker Sigrid,
van den Bedem Henry
Publication year - 2015
Publication title -
pamm
Language(s) - English
Resource type - Journals
ISSN - 1617-7061
DOI - 10.1002/pamm.201510035
Subject(s) - rigidity (electromagnetism) , kinematics , structural rigidity , constraint (computer aided design) , biomolecule , linkage (software) , biological system , computer science , mathematics , nanotechnology , engineering , geometry , physics , biology , classical mechanics , materials science , structural engineering , genetics , gene
Kinematic analysis, in contrast to sophisticated molecular dynamics simulations, can provide high‐level insights into conformational diversity of proteins and other biomolecules, with broad implications for human health. Here, we model a protein as a kinematic linkage and present a new geometric method to characterize molecular rigidity. While existing combinatorial constraint counting is limited to generic structures, our geometric approach is also valid for non‐generic linkages. (© 2015 Wiley‐VCH Verlag GmbH & Co. KGaA, Weinheim)