| Macromolecular modeling and design in Rosetta: recent methods and frameworks JK Leman, BD Weitzner, SM Lewis, J Adolf-Bryfogle, N Alam, RF Alford, ... Nature methods 17 (7), 665-680, 2020 | 729 | 2020 |
| The Alzheimer’s peptides Aβ40 and 42 adopt distinct conformations in water: a combined MD/NMR study NG Sgourakis, Y Yan, SA McCallum, C Wang, AE Garcia Journal of molecular biology 368 (5), 1448-1457, 2007 | 551 | 2007 |
| Atomic model of the type III secretion system needle A Loquet, NG Sgourakis, R Gupta, K Giller, D Riedel, C Goosmann, ... Nature 486 (7402), 276-279, 2012 | 408 | 2012 |
| Atomic-level characterization of the ensemble of the Aβ (1–42) monomer in water using unbiased molecular dynamics simulations and spectral algorithms NG Sgourakis, M Merced-Serrano, C Boutsidis, P Drineas, Z Du, C Wang, ... Journal of molecular biology 405 (2), 570-583, 2011 | 248 | 2011 |
| Determination of solution structures of proteins up to 40 kDa using CS-Rosetta with sparse NMR data from deuterated samples OF Lange, P Rossi, NG Sgourakis, Y Song, HW Lee, JM Aramini, ... Proceedings of the National Academy of Sciences 109 (27), 10873-10878, 2012 | 231 | 2012 |
| Programmable design of orthogonal protein heterodimers Z Chen, SE Boyken, M Jia, F Busch, D Flores-Solis, MJ Bick, P Lu, ... Nature 565 (7737), 106-111, 2019 | 198 | 2019 |
| High-resolution structure of the Shigella type-III secretion needle by solid-state NMR and cryo-electron microscopy JP Demers, B Habenstein, A Loquet, S Kumar Vasa, K Giller, S Becker, ... Nature communications 5 (1), 4976, 2014 | 135 | 2014 |
| De novo design of a non-local β-sheet protein with high stability and accuracy E Marcos, TM Chidyausiku, AC McShan, T Evangelidis, S Nerli, L Carter, ... Nature structural & molecular biology 25 (11), 1028-1034, 2018 | 130 | 2018 |
| Modeling an in-register, parallel “iowa” aβ fibril structure using solid-state NMR data from labeled samples with rosetta NG Sgourakis, WM Yau, W Qiang Structure 23 (1), 216-227, 2015 | 121 | 2015 |
| The NMR–Rosetta capsid model of M13 bacteriophage reveals a quadrupled hydrophobic packing epitope O Morag, NG Sgourakis, D Baker, A Goldbourt Proceedings of the National Academy of Sciences 112 (4), 971-976, 2015 | 109 | 2015 |
| RETRACTED ARTICLE: Cross-HLA targeting of intracellular oncoproteins with peptide-centric CARs M Yarmarkovich, QF Marshall, JM Warrington, R Premaratne, A Farrel, ... Nature 599 (7885), 477-484, 2021 | 105 | 2021 |
| Peptide exchange on MHC-I by TAPBPR is driven by a negative allostery release cycle AC McShan, K Natarajan, VK Kumirov, D Flores-Solis, J Jiang, ... Nature chemical biology 14 (8), 811-820, 2018 | 85 | 2018 |
| An allosteric site in the T-cell receptor Cβ domain plays a critical signalling role K Natarajan, AC McShan, J Jiang, VK Kumirov, R Wang, H Zhao, ... Nature communications 8 (1), 15260, 2017 | 84 | 2017 |
| A Refined Model of the Prototypical Salmonella SPI-1 T3SS Basal Body Reveals the Molecular Basis for Its Assembly JRC Bergeron, LJ Worrall, NG Sgourakis, F DiMaio, RA Pfuetzner, ... PLoS pathogens 9 (4), e1003307, 2013 | 81 | 2013 |
| Determination of the structures of symmetric protein oligomers from NMR chemical shifts and residual dipolar couplings NG Sgourakis, OF Lange, F DiMaio, I André, NC Fitzkee, P Rossi, ... Journal of the American Chemical Society 133 (16), 6288-6298, 2011 | 81 | 2011 |
| The role of molecular flexibility in antigen presentation and T cell receptor-mediated signaling K Natarajan, J Jiang, NA May, MG Mage, LF Boyd, AC McShan, ... Frontiers in immunology 9, 1657, 2018 | 79 | 2018 |
| The Common Structural Architecture of Shigella flexneri and Salmonella typhimurium Type Three Secretion Needles JP Demers, NG Sgourakis, R Gupta, A Loquet, K Giller, D Riedel, B Laube, ... PLoS pathogens 9 (3), e1003245, 2013 | 78 | 2013 |
| Chemical shift-based methods in NMR structure determination S Nerli, AC McShan, NG Sgourakis Progress in nuclear magnetic resonance spectroscopy 106, 1-25, 2018 | 76 | 2018 |
| A method for the prediction of GPCRs coupling specificity to G-proteins using refined profile Hidden Markov Models NG Sgourakis, PG Bagos, PK Papasaikas, SJ Hamodrakas BMC bioinformatics 6, 1-12, 2005 | 74 | 2005 |
| Prediction of the coupling specificity of GPCRs to four families of G-proteins using hidden Markov models and artificial neural networks NG Sgourakis, PG Bagos, SJ Hamodrakas Bioinformatics 21 (22), 4101-4106, 2005 | 62 | 2005 |