McGreevy R - Search Results

1

Structural mechanism of voltage-dependent gating in an isolated voltage-sensing domain.

Li Q, Wanderling S, Paduch M, Medovoy D, Singharoy A, McGreevy R, Villalba-Galea CA, Hulse RE, Roux B, Schulten K, Kossiakoff A, Perozo E. Li Q, et al. Among authors: mcgreevy r. Nat Struct Mol Biol. 2014 Mar;21(3):244-52. doi: 10.1038/nsmb.2768. Epub 2014 Feb 2. Nat Struct Mol Biol. 2014. PMID: 24487958 Free PMC article.

2

xMDFF: molecular dynamics flexible fitting of low-resolution X-ray structures.

McGreevy R, Singharoy A, Li Q, Zhang J, Xu D, Perozo E, Schulten K. McGreevy R, et al. Acta Crystallogr D Biol Crystallogr. 2014 Sep;70(Pt 9):2344-55. doi: 10.1107/S1399004714013856. Epub 2014 Aug 29. Acta Crystallogr D Biol Crystallogr. 2014. PMID: 25195748 Free PMC article.

3

Advances in the molecular dynamics flexible fitting method for cryo-EM modeling.

McGreevy R, Teo I, Singharoy A, Schulten K. McGreevy R, et al. Methods. 2016 May 1;100:50-60. doi: 10.1016/j.ymeth.2016.01.009. Epub 2016 Jan 21. Methods. 2016. PMID: 26804562 Free PMC article.

4

Computational Methodologies for Real-Space Structural Refinement of Large Macromolecular Complexes.

Goh BC, Hadden JA, Bernardi RC, Singharoy A, McGreevy R, Rudack T, Cassidy CK, Schulten K. Goh BC, et al. Among authors: mcgreevy r. Annu Rev Biophys. 2016 Jul 5;45:253-78. doi: 10.1146/annurev-biophys-062215-011113. Epub 2016 May 2. Annu Rev Biophys. 2016. PMID: 27145875 Free PMC article. Review.

5

CHARMM-GUI MDFF/xMDFF Utilizer for Molecular Dynamics Flexible Fitting Simulations in Various Environments.

Qi Y, Lee J, Singharoy A, McGreevy R, Schulten K, Im W. Qi Y, et al. Among authors: mcgreevy r. J Phys Chem B. 2017 Apr 20;121(15):3718-3723. doi: 10.1021/acs.jpcb.6b10568. Epub 2016 Dec 23. J Phys Chem B. 2017. PMID: 27936734 Free PMC article.

6

Constructing atomic structural models into cryo-EM densities using molecular dynamics - Pros and cons.

Wang Y, Shekhar M, Thifault D, Williams CJ, McGreevy R, Richardson J, Singharoy A, Tajkhorshid E. Wang Y, et al. Among authors: mcgreevy r. J Struct Biol. 2018 Nov;204(2):319-328. doi: 10.1016/j.jsb.2018.08.003. Epub 2018 Aug 7. J Struct Biol. 2018. PMID: 30092279 Free PMC article.

7

Molecular dynamics-based refinement and validation for sub-5 Å cryo-electron microscopy maps.

Singharoy A, Teo I, McGreevy R, Stone JE, Zhao J, Schulten K. Singharoy A, et al. Among authors: mcgreevy r. Elife. 2016 Jul 7;5:e16105. doi: 10.7554/eLife.16105. Elife. 2016. PMID: 27383269 Free PMC article.

8

GPU-accelerated analysis and visualization of large structures solved by molecular dynamics flexible fitting.

Stone JE, McGreevy R, Isralewitz B, Schulten K. Stone JE, et al. Among authors: mcgreevy r. Faraday Discuss. 2014;169:265-83. doi: 10.1039/c4fd00005f. Epub 2014 Jun 30. Faraday Discuss. 2014. PMID: 25340325 Free PMC article.

9

Scalable molecular dynamics on CPU and GPU architectures with NAMD.

Phillips JC, Hardy DJ, Maia JDC, Stone JE, Ribeiro JV, Bernardi RC, Buch R, Fiorin G, Hénin J, Jiang W, McGreevy R, Melo MCR, Radak BK, Skeel RD, Singharoy A, Wang Y, Roux B, Aksimentiev A, Luthey-Schulten Z, Kalé LV, Schulten K, Chipot C, Tajkhorshid E. Phillips JC, et al. Among authors: mcgreevy r. J Chem Phys. 2020 Jul 28;153(4):044130. doi: 10.1063/5.0014475. J Chem Phys. 2020. PMID: 32752662 Free PMC article.

10

Symmetry-restrained flexible fitting for symmetric EM maps.

Chan KY, Gumbart J, McGreevy R, Watermeyer JM, Sewell BT, Schulten K. Chan KY, et al. Among authors: mcgreevy r. Structure. 2011 Sep 7;19(9):1211-8. doi: 10.1016/j.str.2011.07.017. Structure. 2011. PMID: 21893283 Free PMC article.

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