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arXiv · 1312.5639

Simplified flexibility analysis of proteins

Yves-Henri Sanejouand
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Abstract

A simple way to get insights about the possible functional motions of a protein is to perform a normal mode analysis (NMA). Indeed, it has been shown that low-frequency modes thus obtained are often closely related to domain motions involved in protein function. Moreover, because protein low-frequency modes are known to be robust, NMA can be performed using coarse-grained models. As a consequence, it can be done for large ensembles of conformations as well as for large systems, like the ribosome, whole virus capsids, etc. Unexpectedly, on the high-frequency side, modes obtained with cutoff-based coarse-grained models also seem able to provide useful insights on protein dynamical properties.

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Yves-Henri Sanejouand. 2013-12-19. Simplified flexibility analysis of proteins. https://arxiv.org/abs/1312.5639

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