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69 results

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Page 1
PHENIX: a comprehensive Python-based system for macromolecular structure solution.
Adams PD, Afonine PV, Bunkóczi G, Chen VB, Davis IW, Echols N, Headd JJ, Hung LW, Kapral GJ, Grosse-Kunstleve RW, McCoy AJ, Moriarty NW, Oeffner R, Read RJ, Richardson DC, Richardson JS, Terwilliger TC, Zwart PH. Adams PD, et al. Among authors: moriarty nw. Acta Crystallogr D Biol Crystallogr. 2010 Feb;66(Pt 2):213-21. doi: 10.1107/S0907444909052925. Epub 2010 Jan 22. Acta Crystallogr D Biol Crystallogr. 2010. PMID: 20124702 Free PMC article.
MolProbity: More and better reference data for improved all-atom structure validation.
Williams CJ, Headd JJ, Moriarty NW, Prisant MG, Videau LL, Deis LN, Verma V, Keedy DA, Hintze BJ, Chen VB, Jain S, Lewis SM, Arendall WB 3rd, Snoeyink J, Adams PD, Lovell SC, Richardson JS, Richardson DC. Williams CJ, et al. Among authors: moriarty nw. Protein Sci. 2018 Jan;27(1):293-315. doi: 10.1002/pro.3330. Epub 2017 Nov 27. Protein Sci. 2018. PMID: 29067766 Free PMC article.
Outcomes of the EMDataResource cryo-EM Ligand Modeling Challenge.
Lawson CL, Kryshtafovych A, Pintilie GD, Burley SK, Černý J, Chen VB, Emsley P, Gobbi A, Joachimiak A, Noreng S, Prisant MG, Read RJ, Richardson JS, Rohou AL, Schneider B, Sellers BD, Shao C, Sourial E, Williams CI, Williams CJ, Yang Y, Abbaraju V, Afonine PV, Baker ML, Bond PS, Blundell TL, Burnley T, Campbell A, Cao R, Cheng J, Chojnowski G, Cowtan KD, DiMaio F, Esmaeeli R, Giri N, Grubmüller H, Hoh SW, Hou J, Hryc CF, Hunte C, Igaev M, Joseph AP, Kao WC, Kihara D, Kumar D, Lang L, Lin S, Maddhuri Venkata Subramaniya SR, Mittal S, Mondal A, Moriarty NW, Muenks A, Murshudov GN, Nicholls RA, Olek M, Palmer CM, Perez A, Pohjolainen E, Pothula KR, Rowley CN, Sarkar D, Schäfer LU, Schlicksup CJ, Schröder GF, Shekhar M, Si D, Singharoy A, Sobolev OV, Terashi G, Vaiana AC, Vedithi SC, Verburgt J, Wang X, Warshamanage R, Winn MD, Weyand S, Yamashita K, Zhao M, Schmid MF, Berman HM, Chiu W. Lawson CL, et al. Among authors: moriarty nw. Nat Methods. 2024 Jul;21(7):1340-1348. doi: 10.1038/s41592-024-02321-7. Epub 2024 Jun 25. Nat Methods. 2024. PMID: 38918604 Free PMC article.
FEM: feature-enhanced map.
Afonine PV, Moriarty NW, Mustyakimov M, Sobolev OV, Terwilliger TC, Turk D, Urzhumtsev A, Adams PD. Afonine PV, et al. Among authors: moriarty nw. Acta Crystallogr D Biol Crystallogr. 2015 Mar;71(Pt 3):646-66. doi: 10.1107/S1399004714028132. Epub 2015 Feb 26. Acta Crystallogr D Biol Crystallogr. 2015. PMID: 25760612 Free PMC article.
A radical approach to radicals.
Liu Y, Biczysko M, Moriarty NW. Liu Y, et al. Among authors: moriarty nw. Acta Crystallogr D Struct Biol. 2022 Jan 1;78(Pt 1):43-51. doi: 10.1107/S2059798321010809. Epub 2022 Jan 1. Acta Crystallogr D Struct Biol. 2022. PMID: 34981760
PDBx/mmCIF Ecosystem: Foundational Semantic Tools for Structural Biology.
Westbrook JD, Young JY, Shao C, Feng Z, Guranovic V, Lawson CL, Vallat B, Adams PD, Berrisford JM, Bricogne G, Diederichs K, Joosten RP, Keller P, Moriarty NW, Sobolev OV, Velankar S, Vonrhein C, Waterman DG, Kurisu G, Berman HM, Burley SK, Peisach E. Westbrook JD, et al. Among authors: moriarty nw. J Mol Biol. 2022 Jun 15;434(11):167599. doi: 10.1016/j.jmb.2022.167599. Epub 2022 Apr 20. J Mol Biol. 2022. PMID: 35460671 Free PMC article. Review.
Improved joint X-ray and neutron refinement procedure in Phenix.
Liebschner D, Afonine PV, Poon BK, Moriarty NW, Adams PD. Liebschner D, et al. Among authors: moriarty nw. Acta Crystallogr D Struct Biol. 2023 Dec 1;79(Pt 12):1079-1093. doi: 10.1107/S2059798323008914. Epub 2023 Nov 9. Acta Crystallogr D Struct Biol. 2023. PMID: 37942718 Free PMC article.
In situ ligand restraints from quantum-mechanical methods.
Liebschner D, Moriarty NW, Poon BK, Adams PD. Liebschner D, et al. Among authors: moriarty nw. Acta Crystallogr D Struct Biol. 2023 Feb 1;79(Pt 2):100-110. doi: 10.1107/S2059798323000025. Epub 2023 Jan 20. Acta Crystallogr D Struct Biol. 2023. PMID: 36762856 Free PMC article.
Outcomes of the EMDataResource Cryo-EM Ligand Modeling Challenge.
Lawson CL, Kryshtafovych A, Pintilie GD, Burley SK, Černý J, Chen VB, Emsley P, Gobbi A, Joachimiak A, Noreng S, Prisant M, Read RJ, Richardson JS, Rohou AL, Schneider B, Sellers BD, Shao C, Sourial E, Williams CI, Williams CJ, Yang Y, Abbaraju V, Afonine PV, Baker ML, Bond PS, Blundell TL, Burnley T, Campbell A, Cao R, Cheng J, Chojnowski G, Cowtan KD, DiMaio F, Esmaeeli R, Giri N, Grubmüller H, Hoh SW, Hou J, Hryc CF, Hunte C, Igaev M, Joseph AP, Kao WC, Kihara D, Kumar D, Lang L, Lin S, Maddhuri Venkata Subramaniya SR, Mittal S, Mondal A, Moriarty NW, Muenks A, Murshudov GN, Nicholls RA, Olek M, Palmer CM, Perez A, Pohjolainen E, Pothula KR, Rowley CN, Sarkar D, Schäfer LU, Schlicksup CJ, Schröder GF, Shekhar M, Si D, Singharoy A, Sobolev OV, Terashi G, Vaiana AC, Vedithi SC, Verburgt J, Wang X, Warshamanage R, Winn MD, Weyand S, Yamashita K, Zhao M, Schmid MF, Berman HM, Chiu W. Lawson CL, et al. Among authors: moriarty nw. Res Sq [Preprint]. 2024 Jan 25:rs.3.rs-3864137. doi: 10.21203/rs.3.rs-3864137/v1. Res Sq. 2024. Update in: Nat Methods. 2024 Jul;21(7):1340-1348. doi: 10.1038/s41592-024-02321-7 PMID: 38343795 Free PMC article. Updated. Preprint.
Real-space quantum-based refinement for cryo-EM: Q|R#3.
Wang L, Kruse H, Sobolev OV, Moriarty NW, Waller MP, Afonine PV, Biczysko M. Wang L, et al. Among authors: moriarty nw. Acta Crystallogr D Struct Biol. 2020 Dec 1;76(Pt 12):1184-1191. doi: 10.1107/S2059798320013194. Epub 2020 Nov 19. Acta Crystallogr D Struct Biol. 2020. PMID: 33263324
69 results