PreprintCited by 51Protein Structure and DynamicsMachine Learning in BioinformaticsEnzyme Structure and Function

The DOI matches its Crossref record; 1 of the 1 references it cites were found in a registry or an index.

MassiveFold: unveiling AlphaFold’s hidden potential with optimized and parallelized massive sampling

Open access

Preprint — published as 10.1038/s43588-024-00714-4 · Paper page

Abstract

Massive sampling in AlphaFold enables access to increased structural diversity; in combination with its powerful confidence ranking, this unlocks elevated modeling capabilities for monomeric structures and foremost for protein assemblies. However, the approach struggles with GPU cost and data storage. MassiveFold removes these restraints as an optimized and customizable version of AlphaFold that runs predictions in parallel, offering the full benefit of enhanced sampling for protein structure and assembly modeling.

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Registry

Crossref · 10.21203/rs.3.rs-4319486/v1

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Metadata

Authors
Raouraoua, N., Mirabello, C., Véry, T., Blanchet, C., Wallner, B., Lensink, M., & Brysbaert, G.
Affiliations
  • Centre National de la Recherche Scientifique (FR)
  • Linköping University (SE)
  • Linköping University
Corresponding author
Brysbaert, Guillaume
Venue
Nature Computational Science
Published
2024-04-30
Volume
4
Issue
11
Pages
824-828
ISSN
2662-8457 (ISSN-L)
OpenAlex
W4404224798
Cited by
51
References
1
Citations by year
2026: 15 · 2025: 34 · 2024: 2
FWCI
6.94
Type
journal article
Language
en
Open access
Locations
  • Nature Computational Science (publishedVersion, cc-by)
  • Research Square (acceptedVersion, cc-by)
  • PubMed Central (publishedVersion, cc-by)
  • PubMed (publishedVersion)
  • HAL (submittedVersion, cc-by)
  • DiVA (Linkoping University) (submittedVersion, other-oa)
  • LillOA (Université de Lille (University Of Lille)) (submittedVersion)
Funders
  • Institut Français de Bioinformatique (ANR-11-INBS-0013)
  • Agence Nationale de la Recherche (ANR-11-INBS, ANR-21-ESRE-0048, ANR-11-INBS-0013)
  • Knut och Alice Wallenbergs Stiftelse
Topics
  • Life Sciences › Biochemistry, Genetics and Molecular Biology › Molecular Biology › Protein Structure and Dynamics
  • Life Sciences › Biochemistry, Genetics and Molecular Biology › Molecular Biology › Machine Learning in Bioinformatics
  • Life Sciences › Biochemistry, Genetics and Molecular Biology › Structural Biology › Enzyme Structure and Function
Keywords
AlphaFold, protein structure prediction, parallel computing, GPU acceleration, protein assembly, structural diversity, monomeric protein

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