Walter Whiteley 2005 Phys. Biol. 2 S116 doi:10.1088/1478-3975/2/4/S06
Counting out to the flexibility of molecules
Walter Whiteley1
Show affiliationsWe outline the mathematical models, and the related counting algorithms, that are the basis for fast computations to predict biomolecular flexibility and rigidity. Within these mathematical models, we describe the snap-shot flexibility (instantaneous motions) of biomolecules, extracted from a single snap-shot of the molecule and the connection to larger finite motions. We illustrate the results and techniques with direct analysis of simple secondary structures. Understanding these basic ideas clarifies both the limits and the power of the algorithms, as well as the prospects for extensions and refinements of these algorithms.
- PACS
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- Dates
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Issue 4 (December 2005)
Received 18 July 2005, accepted for publication 28 September 2005
Published 9 November 2005
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Counting out to the flexibility of molecules
Walter Whiteley 2005 Phys. Biol. 2 S116
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