An artificial neural network model to predict structure-based protein–protein free energy of binding from Rosetta-calculated properties
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Abstract
An artificial neural network protocol to compute protein–protein free energy of binding.
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Cites
Highly accurate protein structure prediction with AlphaFold
Jumper, J., Evans, R., Pritzel, A., Green, T., Figurnov, M., Ronneberger, O., Tunyasuvunakool, K., Bates, R., Žídek, A., Potapenko, A., et al. (2021) · Nature · doi:10.1038/s41586-021-03819-2 · Cited by 43,764 · see citing works
Massively parallel de novo protein design for targeted therapeutics
Chevalier, A., Silva, D.-A., Rocklin, G. J., Hicks, D. R., Vergara, R., Murapa, P., Bernard, S. M., Zhang, L., Lam, K.-H., Yao, G., et al. (2017) · Nature · doi:10.1038/nature23912 · Cited by 453 · see citing works
Structural basis of epitope recognition by heavy-chain camelid antibodies
Zavrtanik, U., Lukan, J., Loris, R., Lah, J., & Hadži, S. (2018) · Journal of Molecular Biology · doi:10.1016/j.jmb.2018.09.002 · Cited by 169 · see citing works
Clark, A. J., Negron, C., Hauser, K., Sun, M., Wang, L., Abel, R., & Friesner, R. A. (2019) · Journal of Molecular Biology · doi:10.1016/j.jmb.2019.02.003 · Cited by 91 · see citing works
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- Authors
- Ferraz, M. V. F., Neto, J. C. S., Lins, R. D., & Teixeira, E. S.
- Affiliations
- Universidade Federal de Pernambuco (BR)
- Centro de Estudos e Sistemas Avançados do Recife (BR)
- Corresponding author
- Teixeira, Erico S.
- Venue
- Physical Chemistry Chemical Physics
- Publisher
- Royal Society of Chemistry (RSC)
- Published
- 2023
- Volume
- 25
- Issue
- 10
- Pages
- 7257-7267
- ISSN
- 1463-9076 (ISSN-L)
- 1463-9084
- OpenAlex
- W4318716670
- Cited by
- 9
- References
- 4
- Citations by year
- 2026: 3 · 2025: 4 · 2024: 2
- FWCI
- 0.80
- Type
- journal article
- Language
- en
- Open access
- green
- doi.org
- Licence
- cc-by-nc-nd
- rsc.li/journals-terms-of-use (am, 395 d)
- Locations
- Physical Chemistry Chemical Physics (publishedVersion)
- ChemRxiv (acceptedVersion, cc-by-nc-nd)
- PubMed (publishedVersion)
- Funders
- Fundação Oswaldo Cruz (VPPCB-007-FIO-18-2-134)
- Conselho Nacional de Desenvolvimento Científico e Tecnológico (425997/2018-9)
- Fundação de Amparo à Ciência e Tecnologia do Estado de Pernambuco (APQ-0276-1.03/20, APQ-0346-2.09/19)
- Topics
- Life Sciences › Biochemistry, Genetics and Molecular Biology › Molecular Biology › Protein Structure and Dynamics
- Physical Sciences › Computer Science › Computational Theory and Mathematics › Computational Drug Discovery Methods
- Life Sciences › Biochemistry, Genetics and Molecular Biology › Molecular Biology › Machine Learning in Bioinformatics
- Keywords
- artificial neural networks, Rosetta, protein-protein complex, binding affinity prediction
- MeSH terms
- Protein Binding, Proteins, Thermodynamics, Neural Networks, Computer, Entropy
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