These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

178 related articles for article (PubMed ID: 28295691)

  • 1. Accurate Bond Lengths to Hydrogen Atoms from Single-Crystal X-ray Diffraction by Including Estimated Hydrogen ADPs and Comparison to Neutron and QM/MM Benchmarks.
    Dittrich B; Lübben J; Mebs S; Wagner A; Luger P; Flaig R
    Chemistry; 2017 Apr; 23(19):4605-4614. PubMed ID: 28295691
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Probing the accuracy and precision of Hirshfeld atom refinement with
    Fugel M; Jayatilaka D; Hupf E; Overgaard J; Hathwar VR; Macchi P; Turner MJ; Howard JAK; Dolomanov OV; Puschmann H; Iversen BB; Bürgi HB; Grabowsky S
    IUCrJ; 2018 Jan; 5(Pt 1):32-44. PubMed ID: 29354269
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Comparison of different strategies for modelling hydrogen atoms in charge density analyses.
    Köhler C; Lübben J; Krause L; Hoffmann C; Herbst-Irmer R; Stalke D
    Acta Crystallogr B Struct Sci Cryst Eng Mater; 2019 Jun; 75(Pt 3):434-441. PubMed ID: 32830665
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Hirshfeld atom refinement for modelling strong hydrogen bonds.
    Woińska M; Jayatilaka D; Spackman MA; Edwards AJ; Dominiak PM; Woźniak K; Nishibori E; Sugimoto K; Grabowsky S
    Acta Crystallogr A Found Adv; 2014 Sep; 70(Pt 5):483-98. PubMed ID: 25176996
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Hirshfeld atom refinement.
    Capelli SC; Bürgi HB; Dittrich B; Grabowsky S; Jayatilaka D
    IUCrJ; 2014 Sep; 1(Pt 5):361-79. PubMed ID: 25295177
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement.
    Chodkiewicz ML; Gajda R; Lavina B; Tkachev S; Prakapenka VB; Dera P; Wozniak K
    IUCrJ; 2022 Sep; 9(Pt 5):573-579. PubMed ID: 36071798
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Hydrogen ADPs with Cu Kα data? Invariom and Hirshfeld atom modelling of fluconazole.
    Orben CM; Dittrich B
    Acta Crystallogr C Struct Chem; 2014 Jun; 70(Pt 6):580-3. PubMed ID: 24898961
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Towards accurate and precise positions of hydrogen atoms bonded to heavy metal atoms.
    Woińska M; Chodkiewicz ML; Woźniak K
    Chem Commun (Camb); 2021 Apr; 57(30):3652-3655. PubMed ID: 33870351
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Enhancing hydrogen positions in X-ray structures of transition metal hydride complexes with dynamic quantum crystallography.
    Woińska M; Hoser AA; Chodkiewicz ML; Woźniak K
    IUCrJ; 2024 Jan; 11(Pt 1):45-56. PubMed ID: 37990870
    [TBL] [Abstract][Full Text] [Related]  

  • 10. On the temperature dependence of H-U(iso) in the riding hydrogen model.
    Lübben J; Volkmann C; Grabowsky S; Edwards A; Morgenroth W; Fabbiani FP; Sheldrick GM; Dittrich B
    Acta Crystallogr A Found Adv; 2014 Jul; 70(Pt 4):309-16. PubMed ID: 25970187
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Modeling of the nuclear parameters for H atoms in X-ray charge-density studies.
    Madsen AØ; Sørensen HO; Flensburg C; Stewart RF; Larsen S
    Acta Crystallogr A; 2004 Nov; 60(Pt 6):550-61. PubMed ID: 15507737
    [TBL] [Abstract][Full Text] [Related]  

  • 12. TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data.
    Jha KK; Gruza B; Kumar P; Chodkiewicz ML; Dominiak PM
    Acta Crystallogr B Struct Sci Cryst Eng Mater; 2020 Jun; 76(Pt 3):296-306. PubMed ID: 32831250
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Hirshfeld Atom Refinement of Metal-Organic Complexes: Treatment of Hydrogen Atoms Bonded to Transition Metals.
    Woińska M; Pawlędzio S; Chodkiewicz ML; Woźniak K
    J Phys Chem A; 2023 Apr; 127(13):3020-3035. PubMed ID: 36947670
    [TBL] [Abstract][Full Text] [Related]  

  • 14. On QM/MM and MO/MO cluster calculations of all-atom anisotropic displacement parameters for molecules in crystal structures.
    Dittrich B; Pfitzenreuter S; Hübschle CB
    Acta Crystallogr A; 2012 Jan; 68(Pt 1):110-6. PubMed ID: 22186287
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Further Validation of Quantum Crystallography Approaches.
    Wanat M; Malinska M; Hoser AA; Woźniak K
    Molecules; 2021 Jun; 26(12):. PubMed ID: 34207308
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Hydrogen atoms can be located accurately and precisely by x-ray crystallography.
    Woińska M; Grabowsky S; Dominiak PM; Woźniak K; Jayatilaka D
    Sci Adv; 2016 May; 2(5):e1600192. PubMed ID: 27386545
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Neutron crystallographic refinement with REFMAC5 from the CCP4 suite.
    Catapano L; Long F; Yamashita K; Nicholls RA; Steiner RA; Murshudov GN
    Acta Crystallogr D Struct Biol; 2023 Dec; 79(Pt 12):1056-1070. PubMed ID: 37921806
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Aspherical atom refinements on X-ray data of diverse structures including disordered and covalent organic framework systems: a time-accuracy trade-off.
    Jha KK; Kleemiss F; Chodkiewicz ML; Dominiak PM
    J Appl Crystallogr; 2023 Feb; 56(Pt 1):116-127. PubMed ID: 36777135
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Anisotropic fluctuations of amino acids in protein structures: insights from X-ray crystallography and elastic network models.
    Eyal E; Chennubhotla C; Yang LW; Bahar I
    Bioinformatics; 2007 Jul; 23(13):i175-84. PubMed ID: 17646294
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Estimated H-atom anisotropic displacement parameters: a comparison between different methods and with neutron diffraction results.
    Munshi P; Madsen AØ; Spackman MA; Larsen S; Destro R
    Acta Crystallogr A; 2008 Jul; 64(Pt 4):465-75. PubMed ID: 18560163
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.