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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.
Computational structure-based redesign of enzyme activity.
Chen CY, Georgiev I, Anderson AC, Donald BR. Chen CY, et al. Proc Natl Acad Sci U S A. 2009 Mar 10;106(10):3764-9. doi: 10.1073/pnas.0900266106. Epub 2009 Feb 19. Proc Natl Acad Sci U S A. 2009. PMID: 19228942 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.
Algorithm for backrub motions in protein design.
Georgiev I, Keedy D, Richardson JS, Richardson DC, Donald BR. Georgiev I, et al. Bioinformatics. 2008 Jul 1;24(13):i196-204. doi: 10.1093/bioinformatics/btn169. Bioinformatics. 2008. PMID: 18586714 Free PMC article.