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Page 1
Protein design using continuous rotamers.
Gainza P, Roberts KE, Donald BR. Gainza P, et al. PLoS Comput Biol. 2012 Jan;8(1):e1002335. doi: 10.1371/journal.pcbi.1002335. Epub 2012 Jan 12. PLoS Comput Biol. 2012. PMID: 22279426 Free PMC article.
OSPREY: protein design with ensembles, flexibility, and provable algorithms.
Gainza P, Roberts KE, Georgiev I, Lilien RH, Keedy DA, Chen CY, Reza F, Anderson AC, Richardson DC, Richardson JS, Donald BR. Gainza P, et al. Methods Enzymol. 2013;523:87-107. doi: 10.1016/B978-0-12-394292-0.00005-9. Methods Enzymol. 2013. PMID: 23422427 Free PMC article.
Algorithms for protein design.
Gainza P, Nisonoff HM, Donald BR. Gainza P, et al. Curr Opin Struct Biol. 2016 Aug;39:16-26. doi: 10.1016/j.sbi.2016.03.006. Epub 2016 Apr 14. Curr Opin Struct Biol. 2016. PMID: 27086078 Free PMC article. Review.
OSPREY 3.0: Open-source protein redesign for you, with powerful new features.
Hallen MA, Martin JW, Ojewole A, Jou JD, Lowegard AU, Frenkel MS, Gainza P, Nisonoff HM, Mukund A, Wang S, Holt GT, Zhou D, Dowd E, Donald BR. Hallen MA, et al. Among authors: gainza p. J Comput Chem. 2018 Nov 15;39(30):2494-2507. doi: 10.1002/jcc.25522. Epub 2018 Oct 14. J Comput Chem. 2018. PMID: 30368845 Free PMC article.
Chiral evasion and stereospecific antifolate resistance in Staphylococcus aureus.
Wang S, Reeve SM, Holt GT, Ojewole AA, Frenkel MS, Gainza P, Keshipeddy S, Fowler VG, Wright DL, Donald BR. Wang S, et al. Among authors: gainza p. PLoS Comput Biol. 2022 Feb 10;18(2):e1009855. doi: 10.1371/journal.pcbi.1009855. eCollection 2022 Feb. PLoS Comput Biol. 2022. PMID: 35143481 Free PMC article.
21 results