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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. Among authors: dunbrack r. 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.
PyIgClassify: a database of antibody CDR structural classifications.
Adolf-Bryfogle J, Xu Q, North B, Lehmann A, Dunbrack RL Jr. Adolf-Bryfogle J, et al. Nucleic Acids Res. 2015 Jan;43(Database issue):D432-8. doi: 10.1093/nar/gku1106. Epub 2014 Nov 11. Nucleic Acids Res. 2015. PMID: 25392411 Free PMC article.
The origin of CDR H3 structural diversity.
Weitzner BD, Dunbrack RL Jr, Gray JJ. Weitzner BD, et al. Structure. 2015 Feb 3;23(2):302-11. doi: 10.1016/j.str.2014.11.010. Epub 2015 Jan 8. Structure. 2015. PMID: 25579815 Free PMC article.
Modeling and docking of antibody structures with Rosetta.
Weitzner BD, Jeliazkov JR, Lyskov S, Marze N, Kuroda D, Frick R, Adolf-Bryfogle J, Biswas N, Dunbrack RL Jr, Gray JJ. Weitzner BD, et al. Among authors: dunbrack rl jr. Nat Protoc. 2017 Feb;12(2):401-416. doi: 10.1038/nprot.2016.180. Epub 2017 Jan 26. Nat Protoc. 2017. PMID: 28125104 Free PMC article.
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. Among authors: dunbrack rl jr. 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.
RosettaAntibodyDesign (RAbD): A general framework for computational antibody design.
Adolf-Bryfogle J, Kalyuzhniy O, Kubitz M, Weitzner BD, Hu X, Adachi Y, Schief WR, Dunbrack RL Jr. Adolf-Bryfogle J, et al. Among authors: dunbrack rl jr. PLoS Comput Biol. 2018 Apr 27;14(4):e1006112. doi: 10.1371/journal.pcbi.1006112. eCollection 2018 Apr. PLoS Comput Biol. 2018. PMID: 29702641 Free PMC article.
161 results