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All-Atom Molecular Dynamics of Virus Capsids as Drug Targets.
Perilla JR, Hadden JA, Goh BC, Mayne CG, Schulten K. Perilla JR, et al. J Phys Chem Lett. 2016 May 19;7(10):1836-44. doi: 10.1021/acs.jpclett.6b00517. Epub 2016 May 4. J Phys Chem Lett. 2016. PMID: 27128262 Free PMC article.
The capsid lattice engages a bipartite NUP153 motif to mediate nuclear entry of HIV-1 cores.
Shen Q, Kumari S, Xu C, Jang S, Shi J, Burdick RC, Levintov L, Xiong Q, Wu C, Devarkar SC, Tian T, Tripler TN, Hu Y, Yuan S, Temple J, Feng Q, Lusk CP, Aiken C, Engelman AN, Perilla JR, Pathak VK, Lin C, Xiong Y. Shen Q, et al. Among authors: perilla jr. Proc Natl Acad Sci U S A. 2023 Mar 28;120(13):e2202815120. doi: 10.1073/pnas.2202815120. Epub 2023 Mar 21. Proc Natl Acad Sci U S A. 2023. PMID: 36943880 Free PMC article.
Computational structural biology: Evolution of the field.
Hadden-Perilla JA, Perilla JR. Hadden-Perilla JA, et al. Among authors: perilla jr. J Struct Biol. 2024 Sep;216(3):108055. doi: 10.1016/j.jsb.2023.108055. Epub 2023 Dec 12. J Struct Biol. 2024. PMID: 38097149 No abstract available.
Molecular dynamics simulations of large macromolecular complexes.
Perilla JR, Goh BC, Cassidy CK, Liu B, Bernardi RC, Rudack T, Yu H, Wu Z, Schulten K. Perilla JR, et al. Curr Opin Struct Biol. 2015 Apr;31:64-74. doi: 10.1016/j.sbi.2015.03.007. Epub 2015 Apr 4. Curr Opin Struct Biol. 2015. PMID: 25845770 Free PMC article. Review.
Dynamic allostery governs cyclophilin A-HIV capsid interplay.
Lu M, Hou G, Zhang H, Suiter CL, Ahn J, Byeon IJ, Perilla JR, Langmead CJ, Hung I, Gor'kov PL, Gan Z, Brey W, Aiken C, Zhang P, Schulten K, Gronenborn AM, Polenova T. Lu M, et al. Among authors: perilla jr. Proc Natl Acad Sci U S A. 2015 Nov 24;112(47):14617-22. doi: 10.1073/pnas.1516920112. Epub 2015 Nov 9. Proc Natl Acad Sci U S A. 2015. PMID: 26553990 Free PMC article.
Cyclophilin A stabilizes the HIV-1 capsid through a novel non-canonical binding site.
Liu C, Perilla JR, Ning J, Lu M, Hou G, Ramalho R, Himes BA, Zhao G, Bedwell GJ, Byeon IJ, Ahn J, Gronenborn AM, Prevelige PE, Rousso I, Aiken C, Polenova T, Schulten K, Zhang P. Liu C, et al. Among authors: perilla jr. Nat Commun. 2016 Mar 4;7:10714. doi: 10.1038/ncomms10714. Nat Commun. 2016. PMID: 26940118 Free PMC article.
62 results