Prediction of Sub-Monomer A2 Domain Dynamics of the von Willebrand Factor by Machine Learning Algorithm and Coarse-Grained Molecular Dynamics Simulation

We develop a machine learning tool useful for predicting the instantaneous dynamical state of sub-monomer features within long linear polymer chains, as well as extracting the dominant macromolecular motions associated with sub-monomer behaviors of interest. We employ the tool to better understand a...

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Bibliographic Details
Published in:Sci Rep
Main Authors: Morabito, Michael J., Usta, Mustafa, Cheng, Xuanhong, Zhang, Xiaohui F., Oztekin, Alparslan, Webb, Edmund B.
Format: Artigo
Language:Inglês
Published: Nature Publishing Group UK 2019
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Article
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC6588549/
https://ncbi.nlm.nih.gov/pubmed/31227726
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-019-44044-2
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