Nikolaos Sgourakis
TitelCiteras avÅr
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
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
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
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
High-resolution structure of the Shigella type-III secretion needle by solid-state NMR and cryo-electron microscopy
JP Demers, B Habenstein, A Loquet, SK Vasa, K Giller, S Becker, D Baker, ...
Nature communications 5, 4976, 2014
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
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
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), 2013
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
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), 2013
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), 104, 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
Accurate protein structure modeling using sparse NMR data and homologous structure information
JM Thompson, NG Sgourakis, G Liu, P Rossi, Y Tang, JL Mills, ...
Proceedings of the National Academy of Sciences 109 (25), 9875-9880, 2012
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), 1-14, 2017
Discriminating early stage Aβ42 monomer structures using chirality-induced 2DIR spectroscopy in a simulation study
W Zhuang, NG Sgourakis, Z Li, AE Garcia, S Mukamel
Proceedings of the National Academy of Sciences 107 (36), 15687-15692, 2010
A hybrid NMR/SAXS‐based approach for discriminating oligomeric protein interfaces using R osetta
P Rossi, L Shi, G Liu, CM Barbieri, HW Lee, TD Grant, JR Luft, R Xiao, ...
Proteins: Structure, Function, and Bioinformatics 83 (2), 309-317, 2015
The modular structure of the inner-membrane ring component PrgK facilitates assembly of the type III secretion system basal body
JRC Bergeron, LJ Worrall, S De, NG Sgourakis, AH Cheung, ...
Structure 23 (1), 161-172, 2015
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
The membrane complex between transducin and dark-state rhodopsin exhibits large-amplitude interface dynamics on the sub-microsecond timescale: insights from all-atom MD simulations
NG Sgourakis, AE Garcia
Journal of molecular biology 398 (1), 161-173, 2010
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
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