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Tertiary Plasticity Drives the Efficiency of Enterocin 7B Interactions with Lipid Membranes.
J Phys Chem B. 2024 Mar 7;128(9):2100-2113. doi: 10.1021/acs.jpcb.3c08199. Epub 2024 Feb 27.
J Phys Chem B. 2024.
PMID: 38412510
Free PMC article.
Benchmarking Adaptive Steered Molecular Dynamics (ASMD) on CHARMM Force Fields.
Allen C, Bureau HR, McGee TD Jr, Quirk S, Hernandez R.
Allen C, et al. Among authors: bureau hr.
Chemphyschem. 2022 Sep 5;23(17):e202200175. doi: 10.1002/cphc.202200175. Epub 2022 Jul 5.
Chemphyschem. 2022.
PMID: 35594194
Free PMC article.
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Determining the Energetics of Small β-Sheet Peptides using Adaptive Steered Molecular Dynamics.
Bureau HR, Hershkovits E, Quirk S, Hernandez R.
Bureau HR, et al.
J Chem Theory Comput. 2016 Apr 12;12(4):2028-37. doi: 10.1021/acs.jctc.5b01110. Epub 2016 Mar 10.
J Chem Theory Comput. 2016.
PMID: 26930270
Item in Clipboard
Mutational Analysis of Neuropeptide Y Reveals Unusual Thermal Stability Linked to Higher-Order Self-Association.
Quirk S, Hopkins MM, Bureau H, Lusk RJ, Allen C, Hernandez R, Bain DL.
Quirk S, et al.
ACS Omega. 2018 Feb 28;3(2):2141-2154. doi: 10.1021/acsomega.7b01949. Epub 2018 Feb 21.
ACS Omega. 2018.
PMID: 29619413
Free PMC article.
Item in Clipboard
Energetics and structure of alanine-rich α-helices via adaptive steered molecular dynamics.
Zhuang Y, Bureau HR, Lopez C, Bucher R, Quirk S, Hernandez R.
Zhuang Y, et al. Among authors: bureau hr.
Biophys J. 2021 May 18;120(10):2009-2018. doi: 10.1016/j.bpj.2021.03.017. Epub 2021 Mar 26.
Biophys J. 2021.
PMID: 33775636
Free PMC article.
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The relative stability of trpzip1 and its mutants determined by computation and experiment.
Bureau HR, Quirk S, Hernandez R.
Bureau HR, et al.
RSC Adv. 2020 Feb 12;10(11):6520-6535. doi: 10.1039/d0ra00920b. eCollection 2020 Feb 7.
RSC Adv. 2020.
PMID: 35495997
Free PMC article.
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Constrained Unfolding of a Helical Peptide: Implicit versus Explicit Solvents.
Bureau HR, Merz DR Jr, Hershkovits E, Quirk S, Hernandez R.
Bureau HR, et al.
PLoS One. 2015 May 13;10(5):e0127034. doi: 10.1371/journal.pone.0127034. eCollection 2015.
PLoS One. 2015.
PMID: 25970521
Free PMC article.
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