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Performance of HADDOCK and a simple contact-based protein-ligand binding affinity predictor in the D3R Grand Challenge 2.
Kurkcuoglu Z, Koukos PI, Citro N, Trellet ME, Rodrigues JPGLM, Moreira IS, Roel-Touris J, Melquiond ASJ, Geng C, Schaarschmidt J, Xue LC, Vangone A, Bonvin AMJJ. Kurkcuoglu Z, et al. Among authors: moreira is. J Comput Aided Mol Des. 2018 Jan;32(1):175-185. doi: 10.1007/s10822-017-0049-y. Epub 2017 Aug 22. J Comput Aided Mol Des. 2018. PMID: 28831657 Free PMC article.
An overview of data-driven HADDOCK strategies in CAPRI rounds 38-45.
Koukos PI, Roel-Touris J, Ambrosetti F, Geng C, Schaarschmidt J, Trellet ME, Melquiond ASJ, Xue LC, Honorato RV, Moreira I, Kurkcuoglu Z, Vangone A, Bonvin AMJJ. Koukos PI, et al. Proteins. 2020 Aug;88(8):1029-1036. doi: 10.1002/prot.25869. Epub 2020 Jan 7. Proteins. 2020. PMID: 31886559
Membrane proteins structures: A review on computational modeling tools.
Almeida JG, Preto AJ, Koukos PI, Bonvin AMJJ, Moreira IS. Almeida JG, et al. Among authors: moreira is. Biochim Biophys Acta Biomembr. 2017 Oct;1859(10):2021-2039. doi: 10.1016/j.bbamem.2017.07.008. Epub 2017 Jul 15. Biochim Biophys Acta Biomembr. 2017. PMID: 28716627 Free article. Review.
MENSAdb: a thorough structural analysis of membrane protein dimers.
Matos-Filipe P, Preto AJ, Koukos PI, Mourão J, Bonvin AMJJ, Moreira IS. Matos-Filipe P, et al. Among authors: moreira is. Database (Oxford). 2021 Apr 5;2021:baab013. doi: 10.1093/database/baab013. Database (Oxford). 2021. PMID: 33822911 Free PMC article.
Structural Characterization of Membrane Protein Dimers.
Preto AJ, Matos-Filipe P, Koukos PI, Renault P, Sousa SF, Moreira IS. Preto AJ, et al. Among authors: moreira is. Methods Mol Biol. 2019;1958:403-436. doi: 10.1007/978-1-4939-9161-7_21. Methods Mol Biol. 2019. PMID: 30945231
103 results