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2019 2
2020 6
2021 7
2023 1
2024 0

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14 results

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Page 1
PyRosetta Jupyter Notebooks Teach Biomolecular Structure Prediction and Design.
Le KH, Adolf-Bryfogle J, Klima JC, Lyskov S, Labonte J, Bertolani S, Burman SSR, Leaver-Fay A, Weitzner B, Maguire J, Rangan R, Adrianowycz MA, Alford RF, Adal A, Nance ML, Wu Y, Willis J, Kulp DW, Das R, Dunbrack RL Jr, Schief W, Kuhlman B, Siegel JB, Gray JJ. Le KH, et al. Biophysicist (Rockv). 2021 Apr;2(1):108-122. doi: 10.35459/tbp.2019.000147. Epub 2021 Apr 14. Biophysicist (Rockv). 2021. PMID: 35128343 Free PMC article.
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. 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. 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.
Engineering orthogonal human O-linked glycoprotein biosynthesis in bacteria.
Natarajan A, Jaroentomeechai T, Cabrera-Sánchez M, Mohammed JC, Cox EC, Young O, Shajahan A, Vilkhovoy M, Vadhin S, Varner JD, Azadi P, DeLisa MP. Natarajan A, et al. Nat Chem Biol. 2020 Oct;16(10):1062-1070. doi: 10.1038/s41589-020-0595-9. Epub 2020 Jul 27. Nat Chem Biol. 2020. PMID: 32719555 Free PMC article.
14 results