Luthey-Schulten Z - Search Results

1

In Situ Conformational Changes of the Escherichia coli Serine Chemoreceptor in Different Signaling States.

Yang W, Cassidy CK, Ames P, Diebolder CA, Schulten K, Luthey-Schulten Z, Parkinson JS, Briegel A. Yang W, et al. mBio. 2019 Jul 2;10(4):e00973-19. doi: 10.1128/mBio.00973-19. mBio. 2019. PMID: 31266867 Free PMC article.

2

The role of L1 stalk-tRNA interaction in the ribosome elongation cycle.

Trabuco LG, Schreiner E, Eargle J, Cornish P, Ha T, Luthey-Schulten Z, Schulten K. Trabuco LG, et al. J Mol Biol. 2010 Oct 1;402(4):741-60. doi: 10.1016/j.jmb.2010.07.056. Epub 2010 Aug 5. J Mol Biol. 2010. PMID: 20691699 Free PMC article.

3

Evaluation of Emerging Energy-Efficient Heterogeneous Computing Platforms for Biomolecular and Cellular Simulation Workloads.

Stone JE, Hallock MJ, Phillips JC, Peterson JR, Luthey-Schulten Z, Schulten K. Stone JE, et al. IEEE Int Symp Parallel Distrib Process Workshops Phd Forum. 2016 May;2016:89-100. doi: 10.1109/IPDPSW.2016.130. IEEE Int Symp Parallel Distrib Process Workshops Phd Forum. 2016. PMID: 27516922 Free PMC article.

4

CryoEM-based hybrid modeling approaches for structure determination.

Cassidy CK, Himes BA, Luthey-Schulten Z, Zhang P. Cassidy CK, et al. Curr Opin Microbiol. 2018 Jun;43:14-23. doi: 10.1016/j.mib.2017.10.002. Epub 2017 Nov 4. Curr Opin Microbiol. 2018. PMID: 29107896 Free PMC article. Review.

5

NAMD goes quantum: an integrative suite for hybrid simulations.

Melo MCR, Bernardi RC, Rudack T, Scheurer M, Riplinger C, Phillips JC, Maia JDC, Rocha GB, Ribeiro JV, Stone JE, Neese F, Schulten K, Luthey-Schulten Z. Melo MCR, et al. Nat Methods. 2018 May;15(5):351-354. doi: 10.1038/nmeth.4638. Epub 2018 Mar 26. Nat Methods. 2018. PMID: 29578535 Free PMC article.

6

Free-energy simulations reveal molecular mechanism for functional switch of a DNA helicase.

Ma W, Whitley KD, Chemla YR, Luthey-Schulten Z, Schulten K. Ma W, et al. Elife. 2018 Apr 17;7:e34186. doi: 10.7554/eLife.34186. Elife. 2018. PMID: 29664402 Free PMC article.

7

Atoms to Phenotypes: Molecular Design Principles of Cellular Energy Metabolism.

Singharoy A, Maffeo C, Delgado-Magnero KH, Swainsbury DJK, Sener M, Kleinekathöfer U, Vant JW, Nguyen J, Hitchcock A, Isralewitz B, Teo I, Chandler DE, Stone JE, Phillips JC, Pogorelov TV, Mallus MI, Chipot C, Luthey-Schulten Z, Tieleman DP, Hunter CN, Tajkhorshid E, Aksimentiev A, Schulten K. Singharoy A, et al. Cell. 2019 Nov 14;179(5):1098-1111.e23. doi: 10.1016/j.cell.2019.10.021. Cell. 2019. PMID: 31730852 Free PMC article.

8

Structure and dynamics of the E. coli chemotaxis core signaling complex by cryo-electron tomography and molecular simulations.

Cassidy CK, Himes BA, Sun D, Ma J, Zhao G, Parkinson JS, Stansfeld PJ, Luthey-Schulten Z, Zhang P. Cassidy CK, et al. Commun Biol. 2020 Jan 10;3(1):24. doi: 10.1038/s42003-019-0748-0. Commun Biol. 2020. PMID: 31925330 Free PMC article.

9

Complete structure of the chemosensory array core signalling unit in an E. coli minicell strain.

Burt A, Cassidy CK, Ames P, Bacia-Verloop M, Baulard M, Huard K, Luthey-Schulten Z, Desfosses A, Stansfeld PJ, Margolin W, Parkinson JS, Gutsche I. Burt A, et al. Nat Commun. 2020 Feb 6;11(1):743. doi: 10.1038/s41467-020-14350-9. Nat Commun. 2020. PMID: 32029744 Free PMC article.

10

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. J Chem Phys. 2020 Jul 28;153(4):044130. doi: 10.1063/5.0014475. J Chem Phys. 2020. PMID: 32752662 Free PMC article.

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