A geometric approach to characterize rigidity in proteins |
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| Authors: | Dominik Budday Sigrid Leyendecker Henry van den Bedem |
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| Institution: | 1. Chair of Applied Dynamics, Friedrich-Alexander University Erlangen-Nuremberg, Haberstr. 1, 91058 Erlangen, Germany;2. Division of Biosciences, SLAC National Accelerator Laboratory, Stanford University, 2575 Sand Hill Road, Menlo Park, CA, 94025 USA |
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| Abstract: | 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) |
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