BayeStab: Predicting effects of mutations on protein stability with uncertainty quantification.

Abstract excerpt

Predicting protein thermostability change upon mutation is crucial for understanding diseases and designing therapeutics. However, accurately estimating Gibbs free energy change of the protein remained a challenge. Some methods struggle to generalize on examples with no homology and produce uncalibrated predictions. Here we leverage advances in graph neural networks for protein feature extraction to tackle this...

Topics

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• Bayes Theorem
• Mutation
• Neural Networks, Computer
• Protein Stability
• Uncertainty