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Page 1
Spike-heparan sulfate interactions in SARS-CoV-2 infection.
Kearns FL, Sandoval DR, Casalino L, Clausen TM, Rosenfeld MA, Spliid CB, Amaro RE, Esko JD. Kearns FL, et al. Curr Opin Struct Biol. 2022 Oct;76:102439. doi: 10.1016/j.sbi.2022.102439. Epub 2022 Jul 6. Curr Opin Struct Biol. 2022. PMID: 35926454 Free PMC article. Review.
Glycoproteomic landscape and structural dynamics of TIM family immune checkpoints enabled by mucinase SmE.
Chongsaritsinsuk J, Steigmeyer AD, Mahoney KE, Rosenfeld MA, Lucas TM, Smith CM, Li A, Ince D, Kearns FL, Battison AS, Hollenhorst MA, Judy Shon D, Tiemeyer KH, Attah V, Kwon C, Bertozzi CR, Ferracane MJ, Lemmon MA, Amaro RE, Malaker SA. Chongsaritsinsuk J, et al. Nat Commun. 2023 Oct 4;14(1):6169. doi: 10.1038/s41467-023-41756-y. Nat Commun. 2023. PMID: 37794035 Free PMC article.
An integrated view of p53 dynamics, function, and reactivation.
Demir Ö, Barros EP, Offutt TL, Rosenfeld M, Amaro RE. Demir Ö, et al. 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.
Targeted protein S-nitrosylation of ACE2 inhibits SARS-CoV-2 infection.
Oh CK, Nakamura T, Beutler N, Zhang X, Piña-Crespo J, Talantova M, Ghatak S, Trudler D, Carnevale LN, McKercher SR, Bakowski MA, Diedrich JK, Roberts AJ, Woods AK, Chi V, Gupta AK, Rosenfeld MA, Kearns FL, Casalino L, Shaabani N, Liu H, Wilson IA, Amaro RE, Burton DR, Yates JR 3rd, Becker C, Rogers TF, Chatterjee AK, Lipton SA. Oh CK, et al. Nat Chem Biol. 2023 Mar;19(3):275-283. doi: 10.1038/s41589-022-01149-6. Epub 2022 Sep 29. Nat Chem Biol. 2023. PMID: 36175661 Free PMC article.
A critical overview of computational approaches employed for COVID-19 drug discovery.
Muratov EN , Amaro R , Andrade CH , Brown N , Ekins S , Fourches D , Isayev O , Kozakov D , Medina-Franco JL , Merz KM , Oprea TI , Poroikov V , Schneider G , Todd MH , Varnek A , Winkler DA , Zakharov AV , Cherkasov A , Tropsha A . Muratov EN , et al. Chem Soc Rev. 2021 Aug 21;50(16):9121-9151. doi: 10.1039/d0cs01065k. Epub 2021 Jul 2. Chem Soc Rev. 2021. PMID: 34212944 Free PMC article. Review.
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.
SARS-CoV-2 evolved variants optimize binding to cellular glycocalyx.
Kim SH, Kearns FL, Rosenfeld MA, Votapka L, Casalino L, Papanikolas M, Amaro RE, Freeman R. Kim SH, et al. Cell Rep Phys Sci. 2023 Apr 19;4(4):101346. doi: 10.1016/j.xcrp.2023.101346. Epub 2023 Apr 7. Cell Rep Phys Sci. 2023. PMID: 37077408 Free PMC article.
Structure and dynamics of SARS-CoV-2 proofreading exoribonuclease ExoN.
Moeller NH, Shi K, Demir Ö, Belica C, Banerjee S, Yin L, Durfee C, Amaro RE, Aihara H. Moeller NH, et al. Proc Natl Acad Sci U S A. 2022 Mar 1;119(9):e2106379119. doi: 10.1073/pnas.2106379119. Proc Natl Acad Sci U S A. 2022. PMID: 35165203 Free PMC article.
32 results