Stability changes prediction

https://raw.githubusercontent.com/hurraygong/MU3DSP/master/pictures/Figure.2.png

MU3DSP, a residue level 3D structure-based prediction tool to assess single point mutation effects on protein thermodynamic stability and applying to dingle-domain monomeric proteins. Given protein sequence with single mutations as the input, the proposed model integrated both sequence level features of mutant residues and residue level mutation-based 3D structure features.

MU3DSP’s highlights

  • We propose a fast computational method, MU3DSP, based on LightGBM to predict stability changes upon single-residue mutations on proteins by fusing information from 3D structure profiles. The tertiary structure of the protein does not have to be available.

  • MU3DSP uses a structure-based feature from either homology models of query variants if they are available or the annotated genomic variants database G2S (Genome to Structure).

  • MU3DSP can achieve real-time prediction, and it only takes less than 1 minute on average to compute the same mutated position on one protein. A software tool is also provided to allow easy use of the tool.

  • MU3DSP achieves state-of-the-art performance on two independent testing datasets. It is a reliable tool to assess both somatic and germline substitution mutations and assist in protein design.

Reference

ACKNOWLEDGEMENTS

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