Article

FrustraMPNN: An ultra-fast deep learning tool for proteome-scale analysis of deep mutational single-residue local energetic frustration in proteins

2026-01-23

Abstract excerpt

Energetic frustration, characterized by conflicting local interactions, is a key determinant of protein dynamics, allostery, protein-protein interactions, enzyme catalysis, and overall protein function. Although the principle of minimal frustration describes an evolutionary bias towards a reduction of energetic conflicts for efficient protein folding, local violations are selectively embedded to encode the complex...

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Literature Corpus work: fa5145c7-f9c6-5f3c-80b8-811bb8c03cfb
DOI: 10.64898/2026.01.22.701012

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