Structural biology in the clouds: the WeNMR-EOSC ecosystem RV Honorato, PI Koukos, B Jiménez-García, A Tsaregorodtsev, M Verlato, ... Frontiers in molecular biosciences 8, 729513, 2021 | 505 | 2021 |
WeNMR: structural biology on the grid TA Wassenaar, M Van Dijk, N Loureiro-Ferreira, G Van Der Schot, ... Journal of Grid Computing 10, 743-767, 2012 | 211 | 2012 |
Conformational space of flexible biological macromolecules from average data I Bertini, A Giachetti, C Luchinat, G Parigi, MV Petoukhov, R Pierattelli, ... Journal of the American Chemical Society 132 (38), 13553-13558, 2010 | 182 | 2010 |
Paramagnetism-based restraints for Xplor-NIH L Banci, I Bertini, G Cavallaro, A Giachetti, C Luchinat, G Parigi Journal of Biomolecular NMR 28, 249-261, 2004 | 146 | 2004 |
G-triplex structure and formation propensity L Cerofolini, J Amato, A Giachetti, V Limongelli, E Novellino, M Parrinello, ... Nucleic acids research 42 (21), 13393-13404, 2014 | 90 | 2014 |
Exploring the subtleties of drug− receptor interactions: the case of matrix metalloproteinases I Bertini, V Calderone, M Fragai, A Giachetti, M Loconte, C Luchinat, ... Journal of the American Chemical Society 129 (9), 2466-2475, 2007 | 88 | 2007 |
Blind testing of routine, fully automated determination of protein structures from NMR data A Rosato, JM Aramini, C Arrowsmith, A Bagaria, D Baker, A Cavalli, ... Structure 20 (2), 227-236, 2012 | 86 | 2012 |
Long-range correlated dynamics in intrinsically disordered proteins G Parigi, N Rezaei-Ghaleh, A Giachetti, S Becker, C Fernandez, ... Journal of the American Chemical Society 136 (46), 16201-16209, 2014 | 84 | 2014 |
CASD-NMR: critical assessment of automated structure determination by NMR A Rosato, A Bagaria, D Baker, B Bardiaux, A Cavalli, JF Doreleijers, ... Nature methods 6 (9), 625-626, 2009 | 73 | 2009 |
Molecular view of an electron transfer process essential for iron–sulfur protein biogenesis L Banci, I Bertini, V Calderone, S Ciofi-Baffoni, A Giachetti, D Jaiswal, ... Proceedings of the National Academy of Sciences 110 (18), 7136-7141, 2013 | 71 | 2013 |
A Grid-enabled web portal for NMR structure refinement with AMBER I Bertini, DA Case, L Ferella, A Giachetti, A Rosato Bioinformatics 27 (17), 2384-2390, 2011 | 63 | 2011 |
Structural insights into the molecular function of human [2Fe-2S] BOLA1-GRX5 and [2Fe-2S] BOLA3-GRX5 complexes V Nasta, A Giachetti, S Ciofi-Baffoni, L Banci Biochimica et Biophysica Acta (BBA)-General Subjects 1861 (8), 2119-2131, 2017 | 57 | 2017 |
Combining in silico tools and NMR data to validate protein− ligand structural models: application to matrix metalloproteinases I Bertini, M Fragai, A Giachetti, C Luchinat, M Maletta, G Parigi, KJ Yeo Journal of medicinal chemistry 48 (24), 7544-7559, 2005 | 55 | 2005 |
Molecular structure of Cu (II)-bound amyloid-β monomer implicated in inhibition of peptide self-assembly in Alzheimer’s disease A Abelein, S Ciofi-Baffoni, C Mörman, R Kumar, A Giachetti, M Piccioli, ... JACS Au 2 (11), 2571-2584, 2022 | 35 | 2022 |
Investigation of the iron (II) release mechanism of human H-ferritin as a function of pH D Sala, S Ciambellotti, A Giachetti, P Turano, A Rosato Journal of Chemical Information and Modeling 57 (9), 2112-2118, 2017 | 28 | 2017 |
Insights into the dynamics of the human zinc transporter ZnT8 by MD simulations D Sala, A Giachetti, A Rosato Journal of Chemical Information and Modeling 61 (2), 901-912, 2021 | 13 | 2021 |
An atomistic view of the YiiP structural changes upon zinc (II) binding D Sala, A Giachetti, A Rosato Biochimica et Biophysica Acta (BBA)-General Subjects 1863 (10), 1560-1567, 2019 | 13 | 2019 |
Modeling the backbone dynamics of reduced and oxidized solvated rat microsomal cytochrome b5 A Giachetti, G La Penna, A Perico, L Banci Biophysical journal 87 (1), 498-512, 2004 | 13 | 2004 |
Cytochrome c and Organic Molecules: Solution Structure of the p-Aminophenol Adduct†,‡ M Assfalg, I Bertini, R Del Conte, A Giachetti, P Turano Biochemistry 46 (21), 6232-6238, 2007 | 12 | 2007 |
A protocol for the refinement of NMR structures using simultaneously pseudocontact shift restraints from multiple lanthanide ions D Sala, A Giachetti, C Luchinat, A Rosato Journal of biomolecular NMR 66, 175-185, 2016 | 10 | 2016 |