af3cli: Streamlining AlphaFold3 Input Preparation-Reference-Cited by-同舟云学术

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af3cli: Streamlining AlphaFold3 Input Preparation

Published:2025-04-09 Issue:8 Volume:65 Page:3886-3891
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Döpner Philipp¹^ORCID,Kemnitz Stefan²,Doerr Mark³^ORCID,Schulig Lukas¹^ORCID

Affiliation:

1. Department of Medicinal and Pharmaceutical Chemistry, Institute of Pharmacy, University of Greifswald, Friedrich-Ludwig-Jahn-Straße 17, 17489 Greifswald, Germany

2. University Computer Centre, University of Greifswald, Felix-Hausdorff-Straße 18, 17489 Greifswald, Germany

3. Department of Biotechnology and Enzyme Catalysis, Institute of Biochemistry, University of Greifswald, Felix-Hausdorff-Straße 4, 17489 Greifswald, Germany

Funder

Deutsche Forschungsgemeinschaft

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.5c00276

Reference14 articles.

1. Highly accurate protein structure prediction with AlphaFold

2. Accurate structure prediction of biomolecular interactions with AlphaFold 3

3. AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading

4. Generalized biomolecular modeling and design with RoseTTAFold All-Atom

5. Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments

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