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 *

170 related articles for article (PubMed ID: 34342282)

  • 1. Exploring ligand dynamics in protein crystal structures with ensemble refinement.
    Caldararu O; Ekberg V; Logan DT; Oksanen E; Ryde U
    Acta Crystallogr D Struct Biol; 2021 Aug; 77(Pt 8):1099-1115. PubMed ID: 34342282
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Ensemble refinement of protein crystal structures: validation and application.
    Levin EJ; Kondrashov DA; Wesenberg GE; Phillips GN
    Structure; 2007 Sep; 15(9):1040-52. PubMed ID: 17850744
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Modelling dynamics in protein crystal structures by ensemble refinement.
    Burnley BT; Afonine PV; Adams PD; Gros P
    Elife; 2012 Dec; 1():e00311. PubMed ID: 23251785
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Ensemble refinement shows conformational flexibility in crystal structures of human complement factor D.
    Forneris F; Burnley BT; Gros P
    Acta Crystallogr D Biol Crystallogr; 2014 Mar; 70(Pt 3):733-43. PubMed ID: 24598742
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Exploring the conformational space of a receptor for drug design: An ERα case study.
    Schneider M; Pons JL; Labesse G
    J Mol Graph Model; 2021 Nov; 108():107974. PubMed ID: 34274728
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Proper modelling of ligand binding requires an ensemble of bound and unbound states.
    Pearce NM; Krojer T; von Delft F
    Acta Crystallogr D Struct Biol; 2017 Mar; 73(Pt 3):256-266. PubMed ID: 28291761
    [TBL] [Abstract][Full Text] [Related]  

  • 7. High-throughput quantum-mechanics/molecular-mechanics (ONIOM) macromolecular crystallographic refinement with PHENIX/DivCon: the impact of mixed Hamiltonian methods on ligand and protein structure.
    Borbulevych O; Martin RI; Westerhoff LM
    Acta Crystallogr D Struct Biol; 2018 Nov; 74(Pt 11):1063-1077. PubMed ID: 30387765
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Improved ligand geometries in crystallographic refinement using AFITT in PHENIX.
    Janowski PA; Moriarty NW; Kelley BP; Case DA; York DM; Adams PD; Warren GL
    Acta Crystallogr D Struct Biol; 2016 Sep; 72(Pt 9):1062-72. PubMed ID: 27599738
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Automated multiconformer model building for X-ray crystallography and cryo-EM.
    Wankowicz SA; Ravikumar A; Sharma S; Riley B; Raju A; Hogan DW; Flowers J; van den Bedem H; Keedy DA; Fraser JS
    Elife; 2024 Jun; 12():. PubMed ID: 38904665
    [TBL] [Abstract][Full Text] [Related]  

  • 10. qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps.
    van Zundert GCP; Hudson BM; de Oliveira SHP; Keedy DA; Fonseca R; Heliou A; Suresh P; Borrelli K; Day T; Fraser JS; van den Bedem H
    J Med Chem; 2018 Dec; 61(24):11183-11198. PubMed ID: 30457858
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Conformational energy range of ligands in protein crystal structures: The difficult quest for accurate understanding.
    Peach ML; Cachau RE; Nicklaus MC
    J Mol Recognit; 2017 Aug; 30(8):. PubMed ID: 28233410
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Validation of X-ray Crystal Structure Ensemble Representations of SARS-CoV-2 Main Protease by Solution NMR Residual Dipolar Couplings.
    Shen Y; Robertson AJ; Bax A
    J Mol Biol; 2023 Jun; 435(11):168067. PubMed ID: 37330294
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Exposing Hidden Alternative Backbone Conformations in X-ray Crystallography Using qFit.
    Keedy DA; Fraser JS; van den Bedem H
    PLoS Comput Biol; 2015 Oct; 11(10):e1004507. PubMed ID: 26506617
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Improved chemistry restraints for crystallographic refinement by integrating the Amber force field into Phenix.
    Moriarty NW; Janowski PA; Swails JM; Nguyen H; Richardson JS; Case DA; Adams PD
    Acta Crystallogr D Struct Biol; 2020 Jan; 76(Pt 1):51-62. PubMed ID: 31909743
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Detection of alternative conformations by unrestrained refinement.
    Sobolev OV; Lunin VY
    Acta Crystallogr D Biol Crystallogr; 2012 Sep; 68(Pt 9):1118-27. PubMed ID: 22948912
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Improving sampling of crystallographic disorder in ensemble refinement.
    Ploscariu N; Burnley T; Gros P; Pearce NM
    Acta Crystallogr D Struct Biol; 2021 Nov; 77(Pt 11):1357-1364. PubMed ID: 34726164
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Fragmentation-tree density representation for crystallographic modelling of bound ligands.
    Langer GG; Evrard GX; Carolan CG; Lamzin VS
    J Mol Biol; 2012 Jun; 419(3-4):211-22. PubMed ID: 22446381
    [TBL] [Abstract][Full Text] [Related]  

  • 18. FlexE: efficient molecular docking considering protein structure variations.
    Claussen H; Buning C; Rarey M; Lengauer T
    J Mol Biol; 2001 Apr; 308(2):377-95. PubMed ID: 11327774
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Toward Focusing Conformational Ensembles on Bioactive Conformations: A Molecular Mechanics/Quantum Mechanics Study.
    Avgy-David HH; Senderowitz H
    J Chem Inf Model; 2015 Oct; 55(10):2154-67. PubMed ID: 26406154
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Exploring the dynamic information content of a protein NMR structure: comparison of a molecular dynamics simulation with the NMR and X-ray structures of Escherichia coli ribonuclease HI.
    Philippopoulos M; Lim C
    Proteins; 1999 Jul; 36(1):87-110. PubMed ID: 10373009
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.