Binding of inhibitors to nuclear localization signal peptide from Venezuelan equine encephalitis virus capsid protein explored with all-atom replica exchange molecular dynamics.

Delfing, B. M., Laracuente, X., Luo, X., Olson, A., Jeffries, W., Foreman, K. W., Paige, M., Kehn-Hall, K., Lockhart, C., & Klimov, D. K. (2024) Binding of inhibitors to nuclear localization signal peptide from Venezuelan equine encephalitis virus capsid protein explored with all-atom replica exchange molecular dynamics. ACS Omega. (accepted), doi: 10.1021/acsomega.4c06981

Competitive binding of viral nuclear localization signal peptide and inhibitor ligands to importin-α nuclear transport protein.

Delfing, B. M., Laracuente, X., Jeffries, W., Luo, X., Olson, A., Foreman, K. W., Petruncio, G., Lee, K. H., Paige, M., Kehn-Hall, K., Lockhart, C., & Klimov, D. K. (2024) Competitive binding of viral nuclear localization signal peptide and inhibitor ligands to importin-α nuclear transport protein. J. Chem. Inf. Model. 64(13): 5262-5272, doi: 10.1021/acs.jcim.4c00626

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

Delfing, B. M., Laracuente, X. E., Olson, A., Foreman, K. W., Paige, M., Kehn-Hall, K. Lockhart, C., & Klimov, D. K. (2023) Binding of viral nuclear localization signal peptides to importin-α nuclear transport protein. Biophys. J. 122(17): 3476-3488, doi: 10.1016/j.bpj.2023.07.024