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Deep-learning predictions of biomolecular structures : persistent limitations and new horizons extended by explicit ion addition

Jules Marien Sujith Sritharan Beatrice Caviglia Raphaelle Versini Lucas Auclair P. Barraud C. Tisné Alaa Reguei Samuel Murail Fabrice Leclerc Elise Duboué Dijon Jianjun Tao N. Basdevant Marc Baaden Chantal Prévost S. Sacquin-Mora A. Taly
Jul 2026 · bioRxiv · 0 citations
Biology

TL;DR

Modelling sequences both “dry” and in the presence of explicit potassium cations are suggested as a simple, practical way to sample alternative conformations and to expose disordered regions that current predictors tend to over-fold.

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