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Status: Unchecked Keyword: molecular mechanics force field Clear all
2 claims from 1 paper
Biochemistry, Genetics and Molecular Biology › Protein Structure and Dynamics
Atomic resolution ensembles of intrinsically disordered proteins with Alphafold
Schnapka, Morozova, Sen and Bonomi · Nature Communications · 2026
The authors introduce bAIes, a Bayesian method combining AlphaFold2 predictions with molecular mechanics force fields to generate atomic-resolution ensembles of intrinsically disordered proteins.
Unchecked2 claimsShow 2 claims
- UncheckedThe bAIes method is reported to outperform leading coarse-grained and deep-learning models at predicting structural ensembles of disordered proteins.“Furthermore, bAIes outperforms state-of-the-art IDP models based on coarse-grained potentials as well as deep-learning approaches.”
- Unchecked“We show that bAIes produces structural ensembles that match a wide range of high- and low-resolution experimental data across diverse systems, achieving accuracy comparable to atomistic molecular dynamics simulations but at a fraction of their computational…
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