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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.
Deep Learning in Protein Structural Modeling and Design.
Gao W, Mahajan SP, Sulam J, Gray JJ. Gao W, et al. Patterns (N Y). 2020 Nov 12;1(9):100142. doi: 10.1016/j.patter.2020.100142. eCollection 2020 Dec 11. Patterns (N Y). 2020. PMID: 33336200 Free PMC article. Review.
Membrane Protein Engineering with Rosetta.
Alford RF, Gray JJ. Alford RF, et al. Methods Mol Biol. 2021;2315:43-57. doi: 10.1007/978-1-0716-1468-6_3. Methods Mol Biol. 2021. PMID: 34302669 Free PMC article.
Advances to tackle backbone flexibility in protein docking.
Harmalkar A, Gray JJ. Harmalkar A, et al. Curr Opin Struct Biol. 2021 Apr;67:178-186. doi: 10.1016/j.sbi.2020.11.011. Epub 2020 Dec 23. Curr Opin Struct Biol. 2021. PMID: 33360497 Free PMC article. Review.
Computational modeling of membrane proteins.
Koehler Leman J, Ulmschneider MB, Gray JJ. Koehler Leman J, et al. Proteins. 2015 Jan;83(1):1-24. doi: 10.1002/prot.24703. Epub 2014 Nov 19. Proteins. 2015. PMID: 25355688 Free PMC article. Review.
Robustification of RosettaAntibody and Rosetta SnugDock.
Jeliazkov JR, Frick R, Zhou J, Gray JJ. Jeliazkov JR, et al. PLoS One. 2021 Mar 25;16(3):e0234282. doi: 10.1371/journal.pone.0234282. eCollection 2021. PLoS One. 2021. PMID: 33764990 Free PMC article.
The structural basis of PTEN regulation by multi-site phosphorylation.
Dempsey DR, Viennet T, Iwase R, Park E, Henriquez S, Chen Z, Jeliazkov JR, Palanski BA, Phan KL, Coote P, Gray JJ, Eck MJ, Gabelli SB, Arthanari H, Cole PA. Dempsey DR, et al. Nat Struct Mol Biol. 2021 Oct;28(10):858-868. doi: 10.1038/s41594-021-00668-5. Epub 2021 Oct 8. Nat Struct Mol Biol. 2021. PMID: 34625746 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.
95 results