Prediction of protein conformational mobility with validation using small-angle X-ray scattering
A “coarse-grained” model of protein conformational mobility is presented. The conformational paths in five proteins, predicted using the model, are compared with those obtained by the nearest-neighbor method basing on the small-angle X-ray scattering data. The sequences of conformations evaluated with the help of these two approaches have been shown for all proteins under consideration to coincide well; yet there are exceptions, their causes having to be considered for each protein separately.
Keywordsprotein conformational mobility coarse-grained models small-angle X-ray scattering transportation problem conformational paths motion prediction
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