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SAAMBE-MEM: A Sequence-Based Method for Predicting Binding Free Energy Change upon Mutation in Membrane Protein-Protein Complexes

Professor Emil Alexov Group

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About SAAMBE-MEM

SAAMBE-MEM is a sequence based machine learning method for predicing the binding free energy change in membrane protein-protein complexes upon mutation. This method uses experimental binding affinities due to mutation in membrane proteins compiled in MPAD database. The present method uses evolutionary features of the involved protein sequences, and an XGBoost regression model is trained to make the predictions. The cleaned version of MPAD used in this work is available here.

 
SAAMBE-MEM-SCHEMA
 
Please see the publication for greater details and cite to acknowledge the use of SAAMBE-MEM in your work:

Rimal, P.; Panday, S.K.; Xu, W.; Peng, Y.; Alexov, E. SAAMBE-MEM: A Sequence-Based Method for Predicting Binding Free Energy Change upon Mutation in Membrane Protein-Protein Complexes. Bioinformatics 2024  https://doi.org/10.1093/bioinformatics/btae544


 
Single mutation mode

Binding Protein sequence


Mutating Protein sequence


OR

Mutation detail (required for both cases: sequence or file)



   

Multiple mutation mode

Binding Protein sequence


Mutating Protein sequence


OR

Mutation list file(required for both cases: sequence and file)


Upload a plain text file with one mutation per line, click here to view an example for reference


   

 

 
Copyright © Computational Biophysics and Bioinformatics - Emil Alexov Group.