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Page 1
Outcome of the First wwPDB/CCDC/D3R Ligand Validation Workshop.
Adams PD, Aertgeerts K, Bauer C, Bell JA, Berman HM, Bhat TN, Blaney JM, Bolton E, Bricogne G, Brown D, Burley SK, Case DA, Clark KL, Darden T, Emsley P, Feher VA, Feng Z, Groom CR, Harris SF, Hendle J, Holder T, Joachimiak A, Kleywegt GJ, Krojer T, Marcotrigiano J, Mark AE, Markley JL, Miller M, Minor W, Montelione GT, Murshudov G, Nakagawa A, Nakamura H, Nicholls A, Nicklaus M, Nolte RT, Padyana AK, Peishoff CE, Pieniazek S, Read RJ, Shao C, Sheriff S, Smart O, Soisson S, Spurlino J, Stouch T, Svobodova R, Tempel W, Terwilliger TC, Tronrud D, Velankar S, Ward SC, Warren GL, Westbrook JD, Williams P, Yang H, Young J. Adams PD, et al. Among authors: tronrud d. Structure. 2016 Apr 5;24(4):502-508. doi: 10.1016/j.str.2016.02.017. Structure. 2016. PMID: 27050687 Free PMC article.
Arginine off-kilter: guanidinium is not as planar as restraints denote.
Moriarty NW, Liebschner D, Tronrud DE, Adams PD. Moriarty NW, et al. Among authors: tronrud de. Acta Crystallogr D Struct Biol. 2020 Dec 1;76(Pt 12):1159-1166. doi: 10.1107/S2059798320013534. Epub 2020 Nov 24. Acta Crystallogr D Struct Biol. 2020. PMID: 33263321 Free PMC article.
Sorting the chaff from the wheat at the PDB.
Tronrud DE, Matthews BW. Tronrud DE, et al. Protein Sci. 2009 Jan;18(1):2-5. doi: 10.1002/pro.13. Protein Sci. 2009. PMID: 19177345 Free PMC article. No abstract available.
Lessons from the lysozyme of phage T4.
Baase WA, Liu L, Tronrud DE, Matthews BW. Baase WA, et al. Protein Sci. 2010 Apr;19(4):631-41. doi: 10.1002/pro.344. Protein Sci. 2010. PMID: 20095051 Free PMC article. Review.
35 results