Abstract
This paper outlines the use of Bayesian statistics to find the thermostability and spin-coupling constant of protein. Thermostability is an important factor in protein efficacy; modeling it lets us find the mutation temperature of a protein. This is important since the temperature affects protein function. The spin-coupling constant provides high-level structure information about bond angles and rotation in a protein. We have used Bayesian statistics (MCMC) to find the unknown parameters for these two models. Predictive models using the parameters found with this method show good results.
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References
M.H. Chen, Q.M. Shao, J.G. Ibrahim, Monte Carlo methods in Bayesian computation (Springer, New York, NY, 2000)
R Core Team, R: A Language and Environment for Statistical Computing. R Foundation for Statistical Computing, Vienna, Austria, http://www.R-project.org (2014)
A. Thomas, B.O. Hara, U. Ligges, S. Sturtz, Making BUGS Open. R News 6, 12–17 (2006)
J.H. Zhang, L.L. Zhang, L.X. Zhou, Thermostability of protein studied by molecular dynamics simulation. J. Biomol. Struct. Dyn. 21(21), 657–662 (2004)
L.X. Zhou, Bayesian Statistics and Its Application (Fudan Press, China, 2010)
Acknowledgments
The authors would like to thank Professor Linxiang Zhou for his help with this work.
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Zhou, W., Rossetto, A.M. Finding protein thermostability and spin-coupling constant using Bayesian statistics. J Math Chem 53, 151–161 (2015). https://doi.org/10.1007/s10910-014-0416-z
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DOI: https://doi.org/10.1007/s10910-014-0416-z