An Algorithmic Approach to the Identification of Rigid Domains in Proteins |
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Authors: | Vicky Choi Navin Goyal |
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Affiliation: | (1) Department of Computer Science, Virginia Tech, Blacksburg, VA 24061-0106, USA;(2) Department of Computer Science, McGill University, Montreal, Quebec, H3A 2A7, Canada |
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Abstract: | Many proteins undergo conformational changes to perform their functions. A simple mechanism of conformational change in proteins
is a rigid domain motion, in which two parts of a structure move rigidly with respect to each other. The identification of
rigid domains is therefore useful in understanding the structure-function relationship of proteins. Many algorithms, including
those in 16], 22], 13], 10], and 19], have been developed to identify rigid domains. In this paper we complement these
works by proposing a mathematical definition of a rigid domain. We argue that our definition more accurately captures the
intuitive notion of rigid domain in the previous work, than the
quantitative definition of a rigid domain introduced by Nichols et al. 19]. Furthermore, our definition admits a practical
approximation algorithm. We can prove theoretical guarantee on the quality of the output of our algorithm. We implement
a randomized version of our algorithm, and demonstrate its effectiveness on several known protein complexes. |
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