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 *

216 related articles for article (PubMed ID: 26990788)

  • 1. On the ability of molecular dynamics force fields to recapitulate NMR derived protein side chain order parameters.
    O'Brien ES; Wand AJ; Sharp KA
    Protein Sci; 2016 Jun; 25(6):1156-60. PubMed ID: 26990788
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Accurate Methyl Group Dynamics in Protein Simulations with AMBER Force Fields.
    Hoffmann F; Mulder FAA; Schäfer LV
    J Phys Chem B; 2018 May; 122(19):5038-5048. PubMed ID: 29695158
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Narrowing the gap between experimental and computational determination of methyl group dynamics in proteins.
    Hoffmann F; Xue M; Schäfer LV; Mulder FAA
    Phys Chem Chem Phys; 2018 Oct; 20(38):24577-24590. PubMed ID: 30226234
    [TBL] [Abstract][Full Text] [Related]  

  • 4. On the relationship between NMR-derived amide order parameters and protein backbone entropy changes.
    Sharp KA; O'Brien E; Kasinath V; Wand AJ
    Proteins; 2015 May; 83(5):922-30. PubMed ID: 25739366
    [TBL] [Abstract][Full Text] [Related]  

  • 5.
    Anderson JS; Hernández G; LeMaster DM
    J Chem Theory Comput; 2020 May; 16(5):2896-2913. PubMed ID: 32268062
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Experimental verification of force fields for molecular dynamics simulations using Gly-Pro-Gly-Gly.
    Aliev AE; Courtier-Murias D
    J Phys Chem B; 2010 Sep; 114(38):12358-75. PubMed ID: 20825228
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Parsing Dynamics of Protein Backbone NH and Side-Chain Methyl Groups using Molecular Dynamics Simulations.
    Banayan NE; Hsu A; Hunt JF; Palmer AG; Friesner RA
    J Chem Theory Comput; 2024 Jul; 20(14):6316-6327. PubMed ID: 38957960
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Evaluating amber force fields using computed NMR chemical shifts.
    Koes DR; Vries JK
    Proteins; 2017 Oct; 85(10):1944-1956. PubMed ID: 28688107
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Predicting NMR relaxation of proteins from molecular dynamics simulations with accurate methyl rotation barriers.
    Hoffmann F; Mulder FAA; Schäfer LV
    J Chem Phys; 2020 Feb; 152(8):084102. PubMed ID: 32113361
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Accuracy and precision of NMR relaxation experiments and MD simulations for characterizing protein dynamics.
    Philippopoulos M; Mandel AM; Palmer AG; Lim C
    Proteins; 1997 Aug; 28(4):481-93. PubMed ID: 9261865
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Accuracy of MD solvent models in RNA structure refinement assessed via liquid-crystal NMR and spin relaxation data.
    Bergonzo C; Grishaev A
    J Struct Biol; 2019 Sep; 207(3):250-259. PubMed ID: 31279068
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Maximizing accuracy of RNA structure in refinement against residual dipolar couplings.
    Bergonzo C; Grishaev A
    J Biomol NMR; 2019 Apr; 73(3-4):117-139. PubMed ID: 31049778
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Validation of the GROMOS force-field parameter set 45Alpha3 against nuclear magnetic resonance data of hen egg lysozyme.
    Soares TA; Daura X; Oostenbrink C; Smith LJ; van Gunsteren WF
    J Biomol NMR; 2004 Dec; 30(4):407-22. PubMed ID: 15630561
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Barstar has a highly dynamic hydrophobic core: evidence from molecular dynamics simulations and nuclear magnetic resonance relaxation data.
    Wong KB; Daggett V
    Biochemistry; 1998 Aug; 37(32):11182-92. PubMed ID: 9698364
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Assessing the Current State of Amber Force Field Modifications for DNA.
    Galindo-Murillo R; Robertson JC; Zgarbová M; Šponer J; Otyepka M; Jurečka P; Cheatham TE
    J Chem Theory Comput; 2016 Aug; 12(8):4114-27. PubMed ID: 27300587
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Molecular Dynamics-Assisted Optimization of Protein NMR Relaxation Analysis.
    Anderson JS; Hernández G; LeMaster DM
    J Chem Theory Comput; 2022 Apr; 18(4):2091-2104. PubMed ID: 35245056
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Conformational dynamics of HIV-1 protease: a comparative molecular dynamics simulation study with multiple amber force fields.
    Meher BR; Kumar MV; Sharma S; Bandyopadhyay P
    J Bioinform Comput Biol; 2012 Dec; 10(6):1250018. PubMed ID: 22845837
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Validation of Molecular Dynamics Simulations of Biomolecules Using NMR Spin Relaxation as Benchmarks:  Application to the AMBER99SB Force Field.
    Showalter SA; Brüschweiler R
    J Chem Theory Comput; 2007 May; 3(3):961-75. PubMed ID: 26627416
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Prediction of Bond Vector Autocorrelation Functions from Larmor Frequency-Selective Order Parameter Analysis of NMR Relaxation Data.
    Anderson JS; Hernández G; LeMaster DM
    J Chem Theory Comput; 2017 Jul; 13(7):3276-3289. PubMed ID: 28541675
    [TBL] [Abstract][Full Text] [Related]  

  • 20. How accurately do force fields represent protein side chain ensembles?
    Petrović D; Wang X; Strodel B
    Proteins; 2018 Sep; 86(9):935-944. PubMed ID: 29790608
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 11.