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68 results

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Page 1
The Rosetta All-Atom Energy Function for Macromolecular Modeling and Design.
Alford RF, Leaver-Fay A, Jeliazkov JR, O'Meara MJ, DiMaio FP, Park H, Shapovalov MV, Renfrew PD, Mulligan VK, Kappel K, Labonte JW, Pacella MS, Bonneau R, Bradley P, Dunbrack RL Jr, Das R, Baker D, Kuhlman B, Kortemme T, Gray JJ. Alford RF, et al. J Chem Theory Comput. 2017 Jun 13;13(6):3031-3048. doi: 10.1021/acs.jctc.7b00125. Epub 2017 May 12. J Chem Theory Comput. 2017. PMID: 28430426 Free PMC article.
De novo design of highly selective miniprotein inhibitors of integrins αvβ6 and αvβ8.
Roy A, Shi L, Chang A, Dong X, Fernandez A, Kraft JC, Li J, Le VQ, Winegar RV, Cherf GM, Slocum D, Poulson PD, Casper GE, Vallecillo-Zúniga ML, Valdoz JC, Miranda MC, Bai H, Kipnis Y, Olshefsky A, Priya T, Carter L, Ravichandran R, Chow CM, Johnson MR, Cheng S, Smith M, Overed-Sayer C, Finch DK, Lowe D, Bera AK, Matute-Bello G, Birkland TP, DiMaio F, Raghu G, Cochran JR, Stewart LJ, Campbell MG, Van Ry PM, Springer T, Baker D. Roy A, et al. Nat Commun. 2023 Sep 13;14(1):5660. doi: 10.1038/s41467-023-41272-z. Nat Commun. 2023. PMID: 37704610 Free PMC article.
Macromolecular modeling and design in Rosetta: recent methods and frameworks.
Leman JK, Weitzner BD, Lewis SM, Adolf-Bryfogle J, Alam N, Alford RF, Aprahamian M, Baker D, Barlow KA, Barth P, Basanta B, Bender BJ, Blacklock K, Bonet J, Boyken SE, Bradley P, Bystroff C, Conway P, Cooper S, Correia BE, Coventry B, Das R, De Jong RM, DiMaio F, Dsilva L, Dunbrack R, Ford AS, Frenz B, Fu DY, Geniesse C, Goldschmidt L, Gowthaman R, Gray JJ, Gront D, Guffy S, Horowitz S, Huang PS, Huber T, Jacobs TM, Jeliazkov JR, Johnson DK, Kappel K, Karanicolas J, Khakzad H, Khar KR, Khare SD, Khatib F, Khramushin A, King IC, Kleffner R, Koepnick B, Kortemme T, Kuenze G, Kuhlman B, Kuroda D, Labonte JW, Lai JK, Lapidoth G, Leaver-Fay A, Lindert S, Linsky T, London N, Lubin JH, Lyskov S, Maguire J, Malmström L, Marcos E, Marcu O, Marze NA, Meiler J, Moretti R, Mulligan VK, Nerli S, Norn C, Ó'Conchúir S, Ollikainen N, Ovchinnikov S, Pacella MS, Pan X, Park H, Pavlovicz RE, Pethe M, Pierce BG, Pilla KB, Raveh B, Renfrew PD, Burman SSR, Rubenstein A, Sauer MF, Scheck A, Schief W, Schueler-Furman O, Sedan Y, Sevy AM, Sgourakis NG, Shi L, Siegel JB, Silva DA, Smith S, Song Y, Stein A, Szegedy M, Teets FD, Thyme SB, Wang RY, Watkins A, Zimmerman L, Bonneau R. Leman JK, et al. Nat Methods. 2020 Jul;17(7):665-680. doi: 10.1038/s41592-020-0848-2. Epub 2020 Jun 1. Nat Methods. 2020. PMID: 32483333 Free PMC article. Review.
Structure-guided forcefield optimization.
Song Y, Tyka M, Leaver-Fay A, Thompson J, Baker D. Song Y, et al. Proteins. 2011 Jun;79(6):1898-909. doi: 10.1002/prot.23013. Epub 2011 Apr 12. Proteins. 2011. PMID: 21488100 Free PMC article.
Computational design of non-porous pH-responsive antibody nanoparticles.
Yang EC, Divine R, Miranda MC, Borst AJ, Sheffler W, Zhang JZ, Decarreau J, Saragovi A, Abedi M, Goldbach N, Ahlrichs M, Dobbins C, Hand A, Cheng S, Lamb M, Levine PM, Chan S, Skotheim R, Fallas J, Ueda G, Lubner J, Somiya M, Khmelinskaia A, King NP, Baker D. Yang EC, et al. Nat Struct Mol Biol. 2024 Sep;31(9):1404-1412. doi: 10.1038/s41594-024-01288-5. Epub 2024 May 9. Nat Struct Mol Biol. 2024. PMID: 38724718 Free PMC article.
High-accuracy refinement using Rosetta in CASP13.
Park H, Lee GR, Kim DE, Anishchenko I, Cong Q, Baker D. Park H, et al. Proteins. 2019 Dec;87(12):1276-1282. doi: 10.1002/prot.25784. Epub 2019 Aug 5. Proteins. 2019. PMID: 31325340 Free PMC article.
Computational design of a synthetic PD-1 agonist.
Bryan CM, Rocklin GJ, Bick MJ, Ford A, Majri-Morrison S, Kroll AV, Miller CJ, Carter L, Goreshnik I, Kang A, DiMaio F, Tarbell KV, Baker D. Bryan CM, et al. Proc Natl Acad Sci U S A. 2021 Jul 20;118(29):e2102164118. doi: 10.1073/pnas.2102164118. Proc Natl Acad Sci U S A. 2021. PMID: 34272285 Free PMC article.
CASP11 refinement experiments with ROSETTA.
Park H, DiMaio F, Baker D. Park H, et al. Proteins. 2016 Sep;84 Suppl 1(Suppl 1):314-22. doi: 10.1002/prot.24862. Epub 2015 Aug 14. Proteins. 2016. PMID: 26205421 Free PMC article.
68 results