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Drug resistance conferred by mutations outside the active site through alterations in the dynamic and structural ensemble of HIV-1 protease.
J Am Chem Soc. 2014 Aug 27;136(34):11956-63. doi: 10.1021/ja504096m. Epub 2014 Aug 18.
J Am Chem Soc. 2014.
PMID: 25091085
Free PMC article.
Interdependence of Inhibitor Recognition in HIV-1 Protease.
Paulsen JL, Leidner F, Ragland DA, Kurt Yilmaz N, Schiffer CA.
Paulsen JL, et al. Among authors: ragland da.
J Chem Theory Comput. 2017 May 9;13(5):2300-2309. doi: 10.1021/acs.jctc.6b01262. Epub 2017 Apr 11.
J Chem Theory Comput. 2017.
PMID: 28358514
Free PMC article.
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Elucidating the Interdependence of Drug Resistance from Combinations of Mutations.
Ragland DA, Whitfield TW, Lee SK, Swanstrom R, Zeldovich KB, Kurt-Yilmaz N, Schiffer CA.
Ragland DA, et al.
J Chem Theory Comput. 2017 Nov 14;13(11):5671-5682. doi: 10.1021/acs.jctc.7b00601. Epub 2017 Oct 9.
J Chem Theory Comput. 2017.
PMID: 28915040
Free PMC article.
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Characterizing Protein-Ligand Binding Using Atomistic Simulation and Machine Learning: Application to Drug Resistance in HIV-1 Protease.
Whitfield TW, Ragland DA, Zeldovich KB, Schiffer CA.
Whitfield TW, et al. Among authors: ragland da.
J Chem Theory Comput. 2020 Feb 11;16(2):1284-1299. doi: 10.1021/acs.jctc.9b00781. Epub 2020 Jan 16.
J Chem Theory Comput. 2020.
PMID: 31877249
Free PMC article.
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Drug Design Strategies to Avoid Resistance in Direct-Acting Antivirals and Beyond.
Matthew AN, Leidner F, Lockbaum GJ, Henes M, Zephyr J, Hou S, Rao DN, Timm J, Rusere LN, Ragland DA, Paulsen JL, Prachanronarong K, Soumana DI, Nalivaika EA, Kurt Yilmaz N, Ali A, Schiffer CA.
Matthew AN, et al. Among authors: ragland da.
Chem Rev. 2021 Mar 24;121(6):3238-3270. doi: 10.1021/acs.chemrev.0c00648. Epub 2021 Jan 7.
Chem Rev. 2021.
PMID: 33410674
Free PMC article.
Review.
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A Direct Interaction with RNA Dramatically Enhances the Catalytic Activity of the HIV-1 Protease In Vitro.
Potempa M, Nalivaika E, Ragland D, Lee SK, Schiffer CA, Swanstrom R.
Potempa M, et al.
J Mol Biol. 2015 Jul 17;427(14):2360-78. doi: 10.1016/j.jmb.2015.05.007. Epub 2015 May 15.
J Mol Biol. 2015.
PMID: 25986307
Free PMC article.
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Mental health in medical and biomedical doctoral students during the 2020 COVID-19 pandemic and racial protests.
Schad A, Layton RL, Ragland D, Cook JG.
Schad A, et al.
Elife. 2022 Sep 6;11:e69960. doi: 10.7554/eLife.69960.
Elife. 2022.
PMID: 36066348
Free PMC article.
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