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Table representation of search results timeline featuring number of search results per year.
Year | Number of Results |
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2020 | 2 |
2021 | 1 |
2022 | 1 |
2023 | 1 |
2024 | 0 |
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Page 1
Rosetta's Predictive Ability for Low-Affinity Ligand Binding in Fragment-Based Drug Discovery.
Biochemistry. 2023 Feb 7;62(3):700-709. doi: 10.1021/acs.biochem.2c00649. Epub 2023 Jan 10.
Biochemistry. 2023.
PMID: 36626571
PlaceWaters: Real-time, explicit interface water sampling during Rosetta ligand docking.
Smith ST, Shub L, Meiler J.
Smith ST, et al.
PLoS One. 2022 May 31;17(5):e0269072. doi: 10.1371/journal.pone.0269072. eCollection 2022.
PLoS One. 2022.
PMID: 35639743
Free PMC article.
Item in Clipboard
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.
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Assessing multiple score functions in Rosetta for drug discovery.
Smith ST, Meiler J.
Smith ST, et al.
PLoS One. 2020 Oct 12;15(10):e0240450. doi: 10.1371/journal.pone.0240450. eCollection 2020.
PLoS One. 2020.
PMID: 33044994
Free PMC article.
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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.
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.
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