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Binding of viral nuclear localization signal peptides to importin-α nuclear transport protein.
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
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.
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 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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