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2005 1
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2008 4
2011 1
2013 4
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2023 1
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Page 1
Recent Advances in Automated Structure-Based De Novo Drug Design.
Tang Y, Moretti R, Meiler J. Tang Y, et al. Among authors: moretti r. J Chem Inf Model. 2024 Mar 25;64(6):1794-1805. doi: 10.1021/acs.jcim.4c00247. Epub 2024 Mar 14. J Chem Inf Model. 2024. PMID: 38485516 Free PMC article. Review.
Ensuring scientific reproducibility in bio-macromolecular modeling via extensive, automated benchmarks.
Koehler Leman J, Lyskov S, Lewis SM, Adolf-Bryfogle J, Alford RF, Barlow K, Ben-Aharon Z, Farrell D, Fell J, Hansen WA, Harmalkar A, Jeliazkov J, Kuenze G, Krys JD, Ljubetič A, Loshbaugh AL, Maguire J, Moretti R, Mulligan VK, Nance ML, Nguyen PT, Ó Conchúir S, Roy Burman SS, Samanta R, Smith ST, Teets F, Tiemann JKS, Watkins A, Woods H, Yachnin BJ, Bahl CD, Bailey-Kellogg C, Baker D, Das R, DiMaio F, Khare SD, Kortemme T, Labonte JW, Lindorff-Larsen K, Meiler J, Schief W, Schueler-Furman O, Siegel JB, Stein A, Yarov-Yarovoy V, Kuhlman B, Leaver-Fay A, Gront D, Gray JJ, Bonneau R. Koehler Leman J, et al. Among authors: moretti r. Nat Commun. 2021 Nov 29;12(1):6947. doi: 10.1038/s41467-021-27222-7. Nat Commun. 2021. PMID: 34845212 Free PMC article.
Computationally designed peptide macrocycle inhibitors of New Delhi metallo-β-lactamase 1.
Mulligan VK, Workman S, Sun T, Rettie S, Li X, Worrall LJ, Craven TW, King DT, Hosseinzadeh P, Watkins AM, Renfrew PD, Guffy S, Labonte JW, Moretti R, Bonneau R, Strynadka NCJ, Baker D. Mulligan VK, et al. Among authors: moretti r. Proc Natl Acad Sci U S A. 2021 Mar 23;118(12):e2012800118. doi: 10.1073/pnas.2012800118. Proc Natl Acad Sci U S A. 2021. PMID: 33723038 Free PMC article.
Modeling Immunity with Rosetta: Methods for Antibody and Antigen Design.
Schoeder CT, Schmitz S, Adolf-Bryfogle J, Sevy AM, Finn JA, Sauer MF, Bozhanova NG, Mueller BK, Sangha AK, Bonet J, Sheehan JH, Kuenze G, Marlow B, Smith ST, Woods H, Bender BJ, Martina CE, Del Alamo D, Kodali P, Gulsevin A, Schief WR, Correia BE, Crowe JE Jr, Meiler J, Moretti R. Schoeder CT, et al. Among authors: moretti r. Biochemistry. 2021 Mar 23;60(11):825-846. doi: 10.1021/acs.biochem.0c00912. Epub 2021 Mar 11. Biochemistry. 2021. PMID: 33705117 Free PMC article.
32 results