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Article

SA-MPNN: A Sequence-Aware ThermoMPNN for Accurate Prediction of Mutational Effects on Protein Thermodynamic Stability.

Journal of chemical information and modeling - 14 Sept 2026

Zhang Xin Yue, Zheng Xiang, Dong Ze Yuan, Xiao Jing, Zhang Hao, Wu Min Cong, Liu Zhao Ming, Li Guo Hui, Li Jiao, Wang Wei Bu, Liang Yu, Li Qi Ming, Su Ji Guo

Abstract excerpt

Predicting the impact of single-point mutations on protein thermodynamic stability is crucial for protein engineering of therapeutic and industrial applications. By effectively capturing the three-dimensional structural information of proteins and the spatial physical environment of each residue, the inverse folding models (IFMs) upon fine-tuning, such as ThermoMPNN, achieved state-of-the-art performance in...

Read the complete abstract on PubMed

Topics

Thermodynamics
Protein Stability
Proteins
Mutation
Models, Molecular
Protein Folding

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Identifiers

PMID: 42734555
DOI: 10.1021/acs.jcim.6c01644

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