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Abstract
Predicting the strength of protein-protein association allows for understanding the molecular mechanisms, and ultimately controlling it. We devised a novel model to predict protein-protein binding free energies. A machine learning ensemble algorithm uses Rosetta-based quantities to predict binding free energies with unprecedented accuracy, rivaling the most computationally demanding methods available.
Supplementary materials
Title
Supplementary Information
Description
Supplementary tables and Figure, and an example of a RosettaScript used in this work
Actions
Title
Compiled Super Learner Model
Description
Compiled super learner model that can be used to verify model accuracy, along with the distributed test_file and Python script
Actions
Title
Python script
Description
Python script to load the data from the test_file and verify the accuracy of the compiled super learner model
Actions
Title
Test file
Description
Data to be used to verify the accuracy of the model
Actions
