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Met35 Oxidation Hinders Aβ25-35 Peptide Aggregation within the Dimyristoylphosphatidylcholine Bilayer.
ACS Chem Neurosci. 2021 Sep 1;12(17):3225-3236. doi: 10.1021/acschemneuro.1c00407. Epub 2021 Aug 12.
ACS Chem Neurosci. 2021.
PMID: 34383481
Partitioning of Benzoic Acid into 1,2-Dimyristoyl-sn-glycero-3-phosphocholine and Blood-Brain Barrier Mimetic Bilayers.
Siwy CM, Delfing BM, Smith AK, Klimov DK.
Siwy CM, et al. Among authors: delfing bm.
J Chem Inf Model. 2020 Aug 24;60(8):4030-4046. doi: 10.1021/acs.jcim.0c00590. Epub 2020 Jul 29.
J Chem Inf Model. 2020.
PMID: 32672960
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Partitioning of Aβ Peptide Fragments into Blood-Brain Barrier Mimetic Bilayer.
Siwy CM, Delfing BM, Lockhart C, Smith AK, Klimov DK.
Siwy CM, et al. Among authors: delfing bm.
J Phys Chem B. 2021 Mar 18;125(10):2658-2676. doi: 10.1021/acs.jpcb.0c11253. Epub 2021 Mar 3.
J Phys Chem B. 2021.
PMID: 33656350
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Lysine Acetylation Changes the Mechanism of Aβ25-35 Peptide Binding and Dimerization in the DMPC Bilayer.
Khayat E, Delfing BM, Laracuente X, Olson A, Lockhart C, Klimov DK.
Khayat E, et al. Among authors: delfing bm.
ACS Chem Neurosci. 2023 Feb 1;14(3):494-505. doi: 10.1021/acschemneuro.2c00722. Epub 2023 Jan 19.
ACS Chem Neurosci. 2023.
PMID: 36656569
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Binding of Venezuelan Equine Encephalitis Virus Inhibitors to Importin-α Receptors Explored with All-Atom Replica Exchange Molecular Dynamics.
Delfing BM, Olson A, Laracuente XE, Foreman KW, Paige M, Kehn-Hall K, Lockhart C, Klimov DK.
Delfing BM, et al.
J Phys Chem B. 2023 Apr 13;127(14):3175-3186. doi: 10.1021/acs.jpcb.3c00429. Epub 2023 Mar 31.
J Phys Chem B. 2023.
PMID: 37001021
Free PMC article.
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Can Free Energy Perturbation Simulations Coupled with Replica-Exchange Molecular Dynamics Study Ligands with Distributed Binding Sites?
Lockhart C, Luo X, Olson A, Delfing BM, Laracuente XE, Foreman KW, Paige M, Kehn-Hall K, Klimov DK.
Lockhart C, et al. Among authors: delfing bm.
J Chem Inf Model. 2023 Aug 14;63(15):4791-4802. doi: 10.1021/acs.jcim.3c00631. Epub 2023 Aug 2.
J Chem Inf Model. 2023.
PMID: 37531558
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Binding of viral nuclear localization signal peptides to importin-α nuclear transport protein.
Delfing BM, Laracuente XE, Olson A, Foreman KW, Paige M, Kehn-Hall K, Lockhart C, Klimov DK.
Delfing BM, et al.
Biophys J. 2023 Sep 5;122(17):3476-3488. doi: 10.1016/j.bpj.2023.07.024. Epub 2023 Aug 4.
Biophys J. 2023.
PMID: 37542371
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