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Expanded ensemble predictions of absolute binding free energies in the SAMPL9 host-guest challenge.
Phys Chem Chem Phys. 2023 Dec 6;25(47):32393-32406. doi: 10.1039/d3cp02197a.
Phys Chem Chem Phys. 2023.
PMID: 38009066
Allosteric inhibitors of the main protease of SARS-CoV-2.
Samrat SK, Xu J, Xie X, Gianti E, Chen H, Zou J, Pattis JG, Elokely K, Lee H, Li Z, Klein ML, Shi PY, Zhou J, Li H.
Samrat SK, et al. Among authors: pattis jg.
Antiviral Res. 2022 Sep;205:105381. doi: 10.1016/j.antiviral.2022.105381. Epub 2022 Jul 11.
Antiviral Res. 2022.
PMID: 35835291
Free PMC article.
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Markov State Model of Lassa Virus Nucleoprotein Reveals Large Structural Changes during the Trimer to Monomer Transition.
Pattis JG, May ER.
Pattis JG, et al.
Structure. 2020 May 5;28(5):548-554.e3. doi: 10.1016/j.str.2020.03.002. Epub 2020 Mar 31.
Structure. 2020.
PMID: 32234493
Free PMC article.
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Functional and structural basis of E. coli enolase inhibition by SF2312: a mimic of the carbanion intermediate.
Krucinska J, Lombardo MN, Erlandsen H, Hazeen A, Duay SS, Pattis JG, Robinson VL, May ER, Wright DL.
Krucinska J, et al. Among authors: pattis jg.
Sci Rep. 2019 Nov 19;9(1):17106. doi: 10.1038/s41598-019-53301-3.
Sci Rep. 2019.
PMID: 31745118
Free PMC article.
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Catalytic Domains of Phosphodiesterase 5, 6, and 5/6 Chimera Display Differential Dynamics and Ligand Dissociation Energy Barriers.
Pattis JG, Kamal S, Li B, May ER.
Pattis JG, et al.
J Phys Chem B. 2019 Jan 31;123(4):825-835. doi: 10.1021/acs.jpcb.8b11370. Epub 2019 Jan 22.
J Phys Chem B. 2019.
PMID: 30616346
Free PMC article.
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Folding a viral peptide in different membrane environments: pathway and sampling analyses.
Nangia S, Pattis JG, May ER.
Nangia S, et al. Among authors: pattis jg.
J Biol Phys. 2018 Jun;44(2):195-209. doi: 10.1007/s10867-018-9490-y. Epub 2018 Apr 11.
J Biol Phys. 2018.
PMID: 29644513
Free PMC article.
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Influence of RNA Binding on the Structure and Dynamics of the Lassa Virus Nucleoprotein.
Pattis JG, May ER.
Pattis JG, et al.
Biophys J. 2016 Mar 29;110(6):1246-54. doi: 10.1016/j.bpj.2016.02.008.
Biophys J. 2016.
PMID: 27028635
Free PMC article.
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