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Page 1
How many more polymorphs of ROY remain undiscovered.
Beran GJO, Sugden IJ, Greenwell C, Bowskill DH, Pantelides CC, Adjiman CS. Beran GJO, et al. Among authors: adjiman cs. Chem Sci. 2021 Dec 13;13(5):1288-1297. doi: 10.1039/d1sc06074k. eCollection 2022 Feb 2. Chem Sci. 2021. PMID: 35222912 Free PMC article.
Quality by digital design to accelerate sustainable medicines development.
Mustoe CL, Turner AJ, Urwin SJ, Houson I, Feilden H, Markl D, Al Qaraghuli MM, Chong MWS, Robertson M, Nordon A, Johnston BF, Brown CJ, Robertson J, Adjiman C, Batchelor H, Benyahia B, Bresciani M, Burcham CL, Cardona J, Cottini C, Dunn AS, Fradet D, Halbert GW, Henson M, Hidber P, Langston M, Lee YS, Li W, Mantanus J, McGinty J, Mehta B, Naz T, Ottoboni S, Prasad E, Quist PO, Reynolds GK, Rielly C, Rowland M, Schlindwein W, Schroeder SLM, Sefcik J, Settanni E, Siddique H, Smith K, Smith R, Srai JS, Thorat AA, Vassileiou A, Florence AJ. Mustoe CL, et al. Int J Pharm. 2025 Aug 20;681:125625. doi: 10.1016/j.ijpharm.2025.125625. Epub 2025 Apr 24. Int J Pharm. 2025. PMID: 40287074 Free article.
Towards crystal structure prediction of complex organic compounds--a report on the fifth blind test.
Bardwell DA, Adjiman CS, Arnautova YA, Bartashevich E, Boerrigter SX, Braun DE, Cruz-Cabeza AJ, Day GM, Della Valle RG, Desiraju GR, van Eijck BP, Facelli JC, Ferraro MB, Grillo D, Habgood M, Hofmann DW, Hofmann F, Jose KV, Karamertzanis PG, Kazantsev AV, Kendrick J, Kuleshova LN, Leusen FJ, Maleev AV, Misquitta AJ, Mohamed S, Needs RJ, Neumann MA, Nikylov D, Orendt AM, Pal R, Pantelides CC, Pickard CJ, Price LS, Price SL, Scheraga HA, van de Streek J, Thakur TS, Tiwari S, Venuti E, Zhitkov IK. Bardwell DA, et al. Among authors: adjiman cs. Acta Crystallogr B. 2011 Dec;67(Pt 6):535-51. doi: 10.1107/S0108768111042868. Epub 2011 Nov 17. Acta Crystallogr B. 2011. PMID: 22101543 Free PMC article.
Report on the sixth blind test of organic crystal structure prediction methods.
Reilly AM, Cooper RI, Adjiman CS, Bhattacharya S, Boese AD, Brandenburg JG, Bygrave PJ, Bylsma R, Campbell JE, Car R, Case DH, Chadha R, Cole JC, Cosburn K, Cuppen HM, Curtis F, Day GM, DiStasio RA Jr, Dzyabchenko A, van Eijck BP, Elking DM, van den Ende JA, Facelli JC, Ferraro MB, Fusti-Molnar L, Gatsiou CA, Gee TS, de Gelder R, Ghiringhelli LM, Goto H, Grimme S, Guo R, Hofmann DW, Hoja J, Hylton RK, Iuzzolino L, Jankiewicz W, de Jong DT, Kendrick J, de Klerk NJ, Ko HY, Kuleshova LN, Li X, Lohani S, Leusen FJ, Lund AM, Lv J, Ma Y, Marom N, Masunov AE, McCabe P, McMahon DP, Meekes H, Metz MP, Misquitta AJ, Mohamed S, Monserrat B, Needs RJ, Neumann MA, Nyman J, Obata S, Oberhofer H, Oganov AR, Orendt AM, Pagola GI, Pantelides CC, Pickard CJ, Podeszwa R, Price LS, Price SL, Pulido A, Read MG, Reuter K, Schneider E, Schober C, Shields GP, Singh P, Sugden IJ, Szalewicz K, Taylor CR, Tkatchenko A, Tuckerman ME, Vacarro F, Vasileiadis M, Vazquez-Mayagoitia A, Vogt L, Wang Y, Watson RE, de Wijs GA, Yang J, Zhu Q, Groom CR. Reilly AM, et al. Among authors: adjiman cs. Acta Crystallogr B Struct Sci Cryst Eng Mater. 2016 Aug 1;72(Pt 4):439-59. doi: 10.1107/S2052520616007447. Epub 2016 Aug 1. Acta Crystallogr B Struct Sci Cryst Eng Mater. 2016. PMID: 27484368 Free PMC article.
47 results