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Year Number of Results
2002 1
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2019 3
2020 7
2021 4
2022 6
2023 2
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20 results
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Page 1
Recent developments in multiscale free energy simulations.
Barros EP, Ries B, Böselt L, Champion C, Riniker S. Barros EP, et al. Curr Opin Struct Biol. 2022 Feb;72:55-62. doi: 10.1016/j.sbi.2021.08.003. Epub 2021 Sep 14. Curr Opin Struct Biol. 2022. PMID: 34534706 Free article. Review.
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.
Frame Shifts Affect the Stability of Collagen Triple Helices.
Fiala T, Barros EP, Ebert MO, Ruijsenaars E, Riniker S, Wennemers H. Fiala T, et al. Among authors: barros ep. J Am Chem Soc. 2022 Oct 12;144(40):18642-18649. doi: 10.1021/jacs.2c08727. Epub 2022 Sep 30. J Am Chem Soc. 2022. PMID: 36179150
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.
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.
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. 2020 Sep 16:2020.09.16.300459. doi: 10.1101/2020.09.16.300459. Preprint. bioRxiv. 2020. PMID: 32995769 Free PMC article. Updated.
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. 2020 Sep 4:2020.06.11.146522. doi: 10.1101/2020.06.11.146522. Preprint. bioRxiv. 2020. PMID: 32577644 Free PMC article. Updated.
Replica-Exchange Enveloping Distribution Sampling Using Generalized AMBER Force-Field Topologies: Application to Relative Hydration Free-Energy Calculations for Large Sets of Molecules.
Rieder SR, Ries B, Schaller K, Champion C, Barros EP, Hünenberger PH, Riniker S. Rieder SR, et al. Among authors: barros ep. J Chem Inf Model. 2022 Jun 27;62(12):3043-3056. doi: 10.1021/acs.jcim.2c00383. Epub 2022 Jun 8. J Chem Inf Model. 2022. PMID: 35675713 Free PMC article.
20 results