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Bayesian Model Aggregation for Ensemble-Based Estimates of Protein pK(a) Values

This paper investigates an ensemble-based technique called Bayesian Model Averaging (BMA) to improve the performance of protein amino acid pK(a) predictions. Structure-based pK(a) calculations play an important role in the mechanistic interpretation of protein structure and are also used to determin...

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Detalhes bibliográficos
Main Authors: Gosink, Luke J., Hogan, Emilie A., Pulsipher, Trenton C., Baker, Nathan A.
Formato: Artigo
Idioma:Inglês
Publicado em: 2013
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3946329/
https://ncbi.nlm.nih.gov/pubmed/23946048
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/prot.24390
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