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The Cambridge Structural Database.
Groom CR, Bruno IJ, Lightfoot MP, Ward SC. Groom CR, et al. Acta Crystallogr B Struct Sci Cryst Eng Mater. 2016 Apr;72(Pt 2):171-9. doi: 10.1107/S2052520616003954. Epub 2016 Apr 1. Acta Crystallogr B Struct Sci Cryst Eng Mater. 2016. PMID: 27048719 Free PMC article.
A crystallographic perspective on sharing data and knowledge.
Bruno IJ, Groom CR. Bruno IJ, et al. Among authors: groom cr. J Comput Aided Mol Des. 2014 Oct;28(10):1015-22. doi: 10.1007/s10822-014-9780-9. Epub 2014 Aug 5. J Comput Aided Mol Des. 2014. PMID: 25091065 Free PMC article.
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: groom cr. Structure. 2016 Apr 5;24(4):502-508. doi: 10.1016/j.str.2016.02.017. Structure. 2016. PMID: 27050687 Free PMC article.
Generation of crystal structures using known crystal structures as analogues.
Cole JC, Groom CR, Read MG, Giangreco I, McCabe P, Reilly AM, Shields GP. Cole JC, et al. Among authors: groom cr. Acta Crystallogr B Struct Sci Cryst Eng Mater. 2016 Aug 1;72(Pt 4):530-41. doi: 10.1107/S2052520616006533. Epub 2016 Jul 16. Acta Crystallogr B Struct Sci Cryst Eng Mater. 2016. PMID: 27484374 Free PMC article.
Hydrogen bonding at C=Se acceptors in selenoureas, selenoamides and selones.
Bibelayi D, Lundemba AS, Allen FH, Galek PT, Pradon J, Reilly AM, Groom CR, Yav ZG. Bibelayi D, et al. Among authors: groom cr. Acta Crystallogr B Struct Sci Cryst Eng Mater. 2016 Jun 1;72(Pt 3):317-25. doi: 10.1107/S2052520616003644. Epub 2016 May 13. Acta Crystallogr B Struct Sci Cryst Eng Mater. 2016. PMID: 27240763
Sixth blind test of organic crystal-structure prediction methods.
Groom CR, Reilly AM. Groom CR, et al. Acta Crystallogr B Struct Sci Cryst Eng Mater. 2014 Aug;70(Pt 4):776-7. doi: 10.1107/S2052520614015923. Epub 2014 Jul 31. Acta Crystallogr B Struct Sci Cryst Eng Mater. 2014. PMID: 25080257
37 results