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.
179 related articles for article (PubMed ID: 22314705)
1. Combining NMR ensembles and molecular dynamics simulations provides more realistic models of protein structures in solution and leads to better chemical shift prediction. Lehtivarjo J; Tuppurainen K; Hassinen T; Laatikainen R; Peräkylä M J Biomol NMR; 2012 Mar; 52(3):257-67. PubMed ID: 22314705 [TBL] [Abstract][Full Text] [Related]
2. 4D prediction of protein (1)H chemical shifts. Lehtivarjo J; Hassinen T; Korhonen SP; Peräkylä M; Laatikainen R J Biomol NMR; 2009 Dec; 45(4):413-26. PubMed ID: 19876601 [TBL] [Abstract][Full Text] [Related]
3. PPM: a side-chain and backbone chemical shift predictor for the assessment of protein conformational ensembles. Li DW; Brüschweiler R J Biomol NMR; 2012 Nov; 54(3):257-65. PubMed ID: 22972619 [TBL] [Abstract][Full Text] [Related]
4. Molecular Dynamics Simulations Combined with Nuclear Magnetic Resonance and/or Small-Angle X-ray Scattering Data for Characterizing Intrinsically Disordered Protein Conformational Ensembles. Chan-Yao-Chong M; Durand D; Ha-Duong T J Chem Inf Model; 2019 May; 59(5):1743-1758. PubMed ID: 30840442 [TBL] [Abstract][Full Text] [Related]
5. EFG-CS: Predicting chemical shifts from amino acid sequences with protein structure prediction using machine learning and deep learning models. Gu X; Myung Y; Rodrigues CHM; Ascher DB Protein Sci; 2024 Aug; 33(8):e5096. PubMed ID: 38979954 [TBL] [Abstract][Full Text] [Related]
6. SHIFTX2: significantly improved protein chemical shift prediction. Han B; Liu Y; Ginzinger SW; Wishart DS J Biomol NMR; 2011 May; 50(1):43-57. PubMed ID: 21448735 [TBL] [Abstract][Full Text] [Related]
7. Interpreting protein structural dynamics from NMR chemical shifts. Robustelli P; Stafford KA; Palmer AG J Am Chem Soc; 2012 Apr; 134(14):6365-74. PubMed ID: 22381384 [TBL] [Abstract][Full Text] [Related]
8. Mapping of protein structural ensembles by chemical shifts. Baskaran K; Brunner K; Munte CE; Kalbitzer HR J Biomol NMR; 2010 Oct; 48(2):71-83. PubMed ID: 20680402 [TBL] [Abstract][Full Text] [Related]
9. Correlation of chemical shifts predicted by molecular dynamics simulations for partially disordered proteins. Karp JM; Eryilmaz E; Cowburn D J Biomol NMR; 2015 Jan; 61(1):35-45. PubMed ID: 25416617 [TBL] [Abstract][Full Text] [Related]
10. Conformational flexibility of a microcrystalline globular protein: order parameters by solid-state NMR spectroscopy. Lorieau JL; McDermott AE J Am Chem Soc; 2006 Sep; 128(35):11505-12. PubMed ID: 16939274 [TBL] [Abstract][Full Text] [Related]
11. Solution NMR structure and backbone dynamics of the major cold-shock protein (CspA) from Escherichia coli: evidence for conformational dynamics in the single-stranded RNA-binding site. Feng W; Tejero R; Zimmerman DE; Inouye M; Montelione GT Biochemistry; 1998 Aug; 37(31):10881-96. PubMed ID: 9692981 [TBL] [Abstract][Full Text] [Related]
12. Assessment of the use of NMR chemical shifts as replica-averaged structural restraints in molecular dynamics simulations to characterize the dynamics of proteins. Camilloni C; Cavalli A; Vendruscolo M J Phys Chem B; 2013 Feb; 117(6):1838-43. PubMed ID: 23327201 [TBL] [Abstract][Full Text] [Related]
13. Structure-based prediction of methyl chemical shifts in proteins. Sahakyan AB; Vranken WF; Cavalli A; Vendruscolo M J Biomol NMR; 2011 Aug; 50(4):331-46. PubMed ID: 21748266 [TBL] [Abstract][Full Text] [Related]
14. Predicting protein backbone chemical shifts from Cα coordinates: extracting high resolution experimental observables from low resolution models. Frank AT; Law SM; Ahlstrom LS; Brooks CL J Chem Theory Comput; 2015 Jan; 11(1):325-31. PubMed ID: 25620895 [TBL] [Abstract][Full Text] [Related]
15. Methods of NMR structure refinement: molecular dynamics simulations improve the agreement with measured NMR data of a C-terminal peptide of GCN4-p1. Dolenc J; Missimer JH; Steinmetz MO; van Gunsteren WF J Biomol NMR; 2010 Jul; 47(3):221-35. PubMed ID: 20524044 [TBL] [Abstract][Full Text] [Related]
16. Using NMR chemical shifts as structural restraints in molecular dynamics simulations of proteins. Robustelli P; Kohlhoff K; Cavalli A; Vendruscolo M Structure; 2010 Aug; 18(8):923-33. PubMed ID: 20696393 [TBL] [Abstract][Full Text] [Related]
17. Secondary structural effects on protein NMR chemical shifts. Wang Y J Biomol NMR; 2004 Nov; 30(3):233-44. PubMed ID: 15754052 [TBL] [Abstract][Full Text] [Related]
18. Enhanced conformational space sampling improves the prediction of chemical shifts in proteins. Markwick PR; Cervantes CF; Abel BL; Komives EA; Blackledge M; McCammon JA J Am Chem Soc; 2010 Feb; 132(4):1220-1. PubMed ID: 20063881 [TBL] [Abstract][Full Text] [Related]
19. Accurate measurements of the effects of deuteration at backbone amide positions on the chemical shifts of ¹⁵N, ¹³Cα, ¹³Cβ, ¹³CO and ¹Hα nuclei in proteins. Zhang D; Tugarinov V J Biomol NMR; 2013 Jun; 56(2):169-82. PubMed ID: 23612994 [TBL] [Abstract][Full Text] [Related]
20. 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] [Next] [New Search]