McCullagh M - Search Results

1

RNA-Dependent Structures of the RNA-Binding Loop in the Flavivirus NS3 Helicase.

Davidson RB, Hendrix J, Geiss BJ, McCullagh M. Davidson RB, et al. Among authors: mccullagh m. J Phys Chem B. 2020 Mar 26;124(12):2371-2381. doi: 10.1021/acs.jpcb.0c00457. Epub 2020 Mar 16. J Phys Chem B. 2020. PMID: 32105483

2

Allostery in the dengue virus NS3 helicase: Insights into the NTPase cycle from molecular simulations.

Davidson RB, Hendrix J, Geiss BJ, McCullagh M. Davidson RB, et al. Among authors: mccullagh m. PLoS Comput Biol. 2018 Apr 16;14(4):e1006103. doi: 10.1371/journal.pcbi.1006103. eCollection 2018 Apr. PLoS Comput Biol. 2018. PMID: 29659571 Free PMC article.

3

Elucidating Structural Evolution of Perylene Diimide Aggregates Using Vibrational Spectroscopy and Molecular Dynamics Simulations.

Mattson MA, Green TD, Lake PT, McCullagh M, Krummel AT. Mattson MA, et al. Among authors: mccullagh m. J Phys Chem B. 2018 May 10;122(18):4891-4900. doi: 10.1021/acs.jpcb.8b02355. Epub 2018 Apr 30. J Phys Chem B. 2018. PMID: 29683669

4

Initial Aggregation and Ordering Mechanism of Diphenylalanine from Microsecond All-Atom Molecular Dynamics Simulations.

Anderson J, Lake PT, McCullagh M. Anderson J, et al. Among authors: mccullagh m. J Phys Chem B. 2018 Dec 27;122(51):12331-12341. doi: 10.1021/acs.jpcb.8b10335. Epub 2018 Dec 14. J Phys Chem B. 2018. PMID: 30511861

5

Characterization of the Search Complex and Recognition Mechanism of the AlkD-DNA Glycosylase.

Votaw KA, McCullagh M. Votaw KA, et al. Among authors: mccullagh m. J Phys Chem B. 2019 Jan 10;123(1):95-105. doi: 10.1021/acs.jpcb.8b09555. Epub 2018 Dec 24. J Phys Chem B. 2019. PMID: 30525620

6

Molecular Dynamics Simulations of 2-Aminopurine-Labeled Dinucleoside Monophosphates Reveal Multiscale Stacking Kinetics.

Remington JM, McCullagh M, Kohler B. Remington JM, et al. Among authors: mccullagh m. J Phys Chem B. 2019 Mar 14;123(10):2291-2304. doi: 10.1021/acs.jpcb.8b12172. Epub 2019 Feb 28. J Phys Chem B. 2019. PMID: 30767498

7

Motif V regulates energy transduction between the flavivirus NS3 ATPase and RNA-binding cleft.

Du Pont KE, Davidson RB, McCullagh M, Geiss BJ. Du Pont KE, et al. Among authors: mccullagh m. J Biol Chem. 2020 Feb 7;295(6):1551-1564. doi: 10.1074/jbc.RA119.011922. Epub 2019 Dec 30. J Biol Chem. 2020. PMID: 31914411 Free PMC article.

8

The Role of Hydrophobicity in the Stability and pH-Switchability of (RXDX)₄ and Coumarin-(RXDX)₄ Conjugate β-Sheets.

Weber R, McCullagh M. Weber R, et al. Among authors: mccullagh m. J Phys Chem B. 2020 Mar 5;124(9):1723-1732. doi: 10.1021/acs.jpcb.0c00048. Epub 2020 Feb 24. J Phys Chem B. 2020. PMID: 32045245

9

Residue-Level Allostery Propagates through the Effective Coarse-Grained Hessian.

Lake PT, Davidson RB, Klem H, Hocky GM, McCullagh M. Lake PT, et al. Among authors: mccullagh m. J Chem Theory Comput. 2020 May 12;16(5):3385-3395. doi: 10.1021/acs.jctc.9b01149. Epub 2020 Apr 17. J Chem Theory Comput. 2020. PMID: 32251581

10

A Hyperactive Kunjin Virus NS3 Helicase Mutant Demonstrates Increased Dissemination and Mortality in Mosquitoes.

Du Pont KE, Sexton NR, McCullagh M, Ebel GD, Geiss BJ. Du Pont KE, et al. Among authors: mccullagh m. J Virol. 2020 Sep 15;94(19):e01021-20. doi: 10.1128/JVI.01021-20. Print 2020 Sep 15. J Virol. 2020. PMID: 32699093 Free PMC article.

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