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The flexibility of ACE2 in the context of SARS-CoV-2 infection.
Barros EP, Casalino L, Gaieb Z, Dommer AC, Wang Y, Fallon L, Raguette L, Belfon K, Simmerling C, Amaro RE. Barros EP, et al. Biophys J. 2021 Mar 16;120(6):1072-1084. doi: 10.1016/j.bpj.2020.10.036. Epub 2020 Nov 13. Biophys J. 2021. PMID: 33189680 Free PMC article.
Beyond Shielding: The Roles of Glycans in SARS-CoV-2 Spike Protein.
Casalino L, Gaieb Z, Goldsmith JA, Hjorth CK, Dommer AC, Harbison AM, Fogarty CA, Barros EP, Taylor BC, McLellan JS, Fadda E, Amaro RE. Casalino L, et al. Among authors: barros ep. bioRxiv [Preprint]. 2020 Sep 4:2020.06.11.146522. doi: 10.1101/2020.06.11.146522. bioRxiv. 2020. PMID: 32577644 Free PMC article. Updated. Preprint.
The flexibility of ACE2 in the context of SARS-CoV-2 infection.
Barros EP, Casalino L, Gaieb Z, Dommer AC, Wang Y, Fallon L, Raguette L, Belfon K, Simmerling C, Amaro RE. Barros EP, et al. bioRxiv [Preprint]. 2020 Sep 16:2020.09.16.300459. doi: 10.1101/2020.09.16.300459. bioRxiv. 2020. PMID: 32995769 Free PMC article. Updated. Preprint.
Beyond Shielding: The Roles of Glycans in the SARS-CoV-2 Spike Protein.
Casalino L, Gaieb Z, Goldsmith JA, Hjorth CK, Dommer AC, Harbison AM, Fogarty CA, Barros EP, Taylor BC, McLellan JS, Fadda E, Amaro RE. Casalino L, et al. Among authors: barros ep. ACS Cent Sci. 2020 Oct 28;6(10):1722-1734. doi: 10.1021/acscentsci.0c01056. Epub 2020 Sep 23. ACS Cent Sci. 2020. PMID: 33140034 Free PMC article.
AI-Driven Multiscale Simulations Illuminate Mechanisms of SARS-CoV-2 Spike Dynamics.
Casalino L, Dommer A, Gaieb Z, Barros EP, Sztain T, Ahn SH, Trifan A, Brace A, Bogetti A, Ma H, Lee H, Turilli M, Khalid S, Chong L, Simmerling C, Hardy DJ, Maia JDC, Phillips JC, Kurth T, Stern A, Huang L, McCalpin J, Tatineni M, Gibbs T, Stone JE, Jha S, Ramanathan A, Amaro RE. Casalino L, et al. Among authors: barros ep. bioRxiv [Preprint]. 2020 Nov 20:2020.11.19.390187. doi: 10.1101/2020.11.19.390187. bioRxiv. 2020. PMID: 33236007 Free PMC article. Updated. Preprint.
An integrated view of p53 dynamics, function, and reactivation.
Demir Ö, Barros EP, Offutt TL, Rosenfeld M, Amaro RE. Demir Ö, et al. Among authors: barros ep. Curr Opin Struct Biol. 2021 Apr;67:187-194. doi: 10.1016/j.sbi.2020.11.005. Epub 2021 Jan 2. Curr Opin Struct Biol. 2021. PMID: 33401096 Free PMC article. Review.
Incorporation of sensing modalities into de novo designed fluorescence-activating proteins.
Klima JC, Doyle LA, Lee JD, Rappleye M, Gagnon LA, Lee MY, Barros EP, Vorobieva AA, Dou J, Bremner S, Quon JS, Chow CM, Carter L, Mack DL, Amaro RE, Vaughan JC, Berndt A, Stoddard BL, Baker D. Klima JC, et al. Among authors: barros ep. Nat Commun. 2021 Feb 8;12(1):856. doi: 10.1038/s41467-020-18911-w. Nat Commun. 2021. PMID: 33558528 Free PMC article.
AI-driven multiscale simulations illuminate mechanisms of SARS-CoV-2 spike dynamics.
Casalino L, Dommer AC, Gaieb Z, Barros EP, Sztain T, Ahn SH, Trifan A, Brace A, Bogetti AT, Clyde A, Ma H, Lee H, Turilli M, Khalid S, Chong LT, Simmerling C, Hardy DJ, Maia JD, Phillips JC, Kurth T, Stern AC, Huang L, McCalpin JD, Tatineni M, Gibbs T, Stone JE, Jha S, Ramanathan A, Amaro RE. Casalino L, et al. Among authors: barros ep. Int J High Perform Comput Appl. 2021 Sep;35(5):432-451. doi: 10.1177/10943420211006452. Int J High Perform Comput Appl. 2021. PMID: 38603008 Free PMC article.
23 results