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Article

Mind the gap: An embedding guide to safely travel in sequence space.

PLoS computational biology - 1 Jul 2026

Wu Adam, Lála Jakub, Trolliet Quentin, Rajendran Abhinav, Angioletti-Uberti Stefano

Abstract excerpt

We present a hybrid approach combining a protein language model (pLM) with Monte Carlo (MC) sampling for generating enzyme mutants free of mutations deleterious for structural preservation. Given the amino acid sequence of the original enzyme and a set of residues for which the local environment should be conserved, i.e., the catalytic site, our approach generates mutants that differ vastly in the overall...

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Methodology Data sources Editorial policy Privacy About Contact Helena Bioinformatics

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Identifiers

PMID: 42424392
DOI: 10.1371/journal.pcbi.1014433
PMCID: PMC13375127

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