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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. 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.
Sense and simplicity in HADDOCK scoring: Lessons from CASP-CAPRI round 1.
Vangone A, Rodrigues JP, Xue LC, van Zundert GC, Geng C, Kurkcuoglu Z, Nellen M, Narasimhan S, Karaca E, van Dijk M, Melquiond AS, Visscher KM, Trellet M, Kastritis PL, Bonvin AM. Vangone A, et al. Proteins. 2017 Mar;85(3):417-423. doi: 10.1002/prot.25198. Epub 2016 Nov 24. Proteins. 2017. PMID: 27802573 Free PMC article.
Defining the limits of homology modeling in information-driven protein docking.
Rodrigues JP, Melquiond AS, Karaca E, Trellet M, van Dijk M, van Zundert GC, Schmitz C, de Vries SJ, Bordogna A, Bonati L, Kastritis PL, Bonvin AM. Rodrigues JP, et al. Proteins. 2013 Dec;81(12):2119-28. doi: 10.1002/prot.24382. Epub 2013 Oct 17. Proteins. 2013. PMID: 23913867 Free article.
Sense and Simplicity in HADDOCK Scoring: Lessons from CASP-CAPRI (page 418).
Vangone A, Rodrigues JPGLM, Xue LC, van Zundert GCP, Geng C, Kurkcuoglu Z, Nellen M, Narasimhan S, Karaca E, van Dijk M, Melquiond ASJ, Visscher KM, Trellet M, Kastritis PL, Bonvin AMJJ. Vangone A, et al. Proteins. 2017 Aug;85(8):1589-1590. doi: 10.1002/prot.25339. Proteins. 2017. PMID: 28730688 Free PMC article. No abstract available.
42 results