Improving the prediction of protein stability changes upon mutations by geometric learning and a pre-training strategy.

Abstract excerpt

Accurate prediction of protein mutation effects is of great importance in protein engineering and design. Here we propose GeoStab-suite, a suite of three geometric learning-based models-GeoFitness, GeoDDG and GeoDTm-for the prediction of fitness score, ΔΔG and ΔTm of a protein upon mutations, respectively. GeoFitness engages a specialized loss function to allow supervised training of a unified model using the...

Topics

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• Algorithms
• Computational Biology
• Databases, Protein
• Machine Learning
• Mutation