Multiscale Dynamics with Ultrafast High-Resolution Relaxometry

Project Information

HIRES-MULTIDYN

Grant agreement ID: 899683

DOI

10.3030/899683

Project closed

EC signature date 27 May 2020

Start date 1 October 2020

End date 30 September 2025

Funded under

• EXCELLENT SCIENCE - Future and Emerging Technologies (FET)

Total cost

€ 3 284 779,99

EU contribution

€ 3 284 779,99

Coordinated by

ECOLE NORMALE SUPERIEURE
France

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Links to deliverables and publications from FP7 projects, as well as links to some specific result types such as dataset and software, are dynamically retrieved from OpenAIRE .

Deliverables

Documents, reports (1)

Report on correReport on correlation functions for motions with and without geometric restrictions

Report developped on correlation functions for motions with or without geometric restrictions

Publications

Peer reviewed articles (20)

Paramagnetic Nuclear Magnetic Resonance: The Toolkit

Author(s): Leonardo Querci, Letizia Fiorucci, Enrico Ravera, Mario Piccioli
Published in: Inorganics, Issue 12, 2025, Page(s) 15, ISSN 2304-6740
Publisher: MDPI AG
DOI: 10.3390/inorganics12010015

Detection of Metabolite–Protein Interactions in Complex Biological Samples by High-Resolution Relaxometry: Toward Interactomics by NMR

Author(s): Ziqing Wang, Simone Pisano, Veronica Ghini, Pavel Kadeřávek, Milan Zachrdla, Philippe Pelupessy, Morgan Kazmierczak, Thorsten Marquardsen, Jean-Max Tyburn, Guillaume Bouvignies, Giacomo Parigi, Claudio Luchinat, Fabien Ferrage
Published in: Journal of the American Chemical Society, Issue 143/25, 2021, Page(s) 9393-9404, ISSN 0002-7863
Publisher: American Chemical Society
DOI: 10.1021/jacs.1c01388

A Quantum Chemistry View on Two Archetypical Paramagnetic Pentacoordinate Nickel(II) Complexes Offers a Fresh Look on Their NMR Spectra

Author(s): Enrico Ravera, Lucia Gigli, Barbara Czarniecki, Lucas Lang, Rainer Kümmerle, Giacomo Parigi, Mario Piccioli, Frank Neese, Claudio Luchinat
Published in: Inorganic Chemistry, Issue 60/3, 2021, Page(s) 2068-2075, ISSN 0020-1669
Publisher: American Chemical Society
DOI: 10.1021/acs.inorgchem.0c03635

Molecular motions in olive oil from nuclear magnetic relaxation over five orders of magnitude of magnetic field

Author(s): Giulia Licciardi, Letizia Fiorucci, Jorge A. Villanueva-Garibay, Olof Stenström, Enrico Ravera, Fabien Ferrage, Claudio Luchinat, Giacomo Parigi
Published in: Journal of Molecular Liquids, Issue 437, 2025, Page(s) 128538, ISSN 0167-7322
Publisher: Elsevier BV
DOI: 10.1016/j.molliq.2025.128538

Deciphering the RNA recognition by Musashi-1 to design protein and RNA variants for <i>in vitro</i> and <i>in vivo</i> applications

Author(s): Anna Pérez-Ràfols, Guillermo Pérez-Ropero, Linda Cerofolini, Luca Sperotto, Joel Roca-Martínez, R Anahí Higuera-Rodríguez, Pasquale Russomanno, Wolfgang Kaiser, Wim Vranken, U Helena Danielson, Alessandro Provenzani, Tommaso Martelli, Michael Sattler, Jos Buijs, Marco Fragai
Published in: Nucleic Acids Research, Issue 53, 2025, ISSN 0305-1048
Publisher: Oxford University Press
DOI: 10.1093/nar/gkaf741

Theoretical analysis of the long-distance limit of NMR chemical shieldings

Author(s): Lucas Lang, Enrico Ravera, Giacomo Parigi, Claudio Luchinat, Frank Neese
Published in: The Journal of Chemical Physics, Issue 156, 2025, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/5.0088162

Novel Nanogels Loaded with Mn(II) Chelates as Effective and Biologically Stable MRI Probes

Author(s): Fabio Carniato, Marco Ricci, Lorenzo Tei, Francesca Garello, Chiara Furlan, Enzo Terreno, Enrico Ravera, Giacomo Parigi, Claudio Luchinat, Mauro Botta
Published in: Small, Issue 19, 2023, ISSN 1613-6810
Publisher: Wiley - V C H Verlag GmbbH & Co.
DOI: 10.1002/smll.202302868

Phase distortion-free paramagnetic NMR spectra

Author(s): Enrico Ravera
Published in: Journal of Magnetic Resonance Open, Issue 8-9, 2023, Page(s) 100022, ISSN 2666-4410
Publisher: Elsevier BV
DOI: 10.1016/j.jmro.2021.100022

How does it really move? Recent progress in the investigation of protein nanosecond dynamics by NMR and simulation

Author(s): Olof Stenström, Candide Champion, Marc Lehner, Guillaume Bouvignies, Sereina Riniker, Fabien Ferrage
Published in: Current Opinion in Structural Biology, Issue 77, 2023, Page(s) 102459, ISSN 0959-440X
Publisher: Elsevier BV
DOI: 10.1016/j.sbi.2022.102459

Not only manganese, but fruit component effects dictate the efficiency of fruit juice as an oral magnetic resonance imaging contrast agent

Author(s): G. Licciardi, D. Rizzo, E. Ravera, M. Fragai, G. Parigi, C. Luchinat
Published in: NMR in Biomedicine, Issue 35-2, 2021, Page(s) e4623, ISSN 1099-1492
Publisher: Wiley Analytical Science
DOI: 10.1002/nbm.4623

Extracting Trends From NMR Data With TrAGICo: A Python Toolbox

Author(s): Letizia Fiorucci, Francesco Bruno, Leonardo Querci, Adam Kubrak, Jlenia Bindi, Nebojša Rodić, Giulia Licciardi, Enrico Luchinat, Giacomo Parigi, Mario Piccioli, Enrico Ravera
Published in: Magnetic Resonance in Chemistry, Issue 63, 2025, Page(s) 628-654, ISSN 0749-1581
Publisher: John Wiley & Sons Inc.
DOI: 10.1002/mrc.5537

Combining Solid‐State NMR with Structural and Biophysical Techniques to Design Challenging Protein‐Drug Conjugates

Author(s): Linda Cerofolini, Kristian Vasa, Elisa Bianconi, Maria Salobehaj, Giulia Cappelli, Alice Bonciani, Giulia Licciardi, Anna Pérez‐Ràfols, Luis Padilla‐Cortés, Sabrina Antonacci, Domenico Rizzo, Enrico Ravera, Caterina Viglianisi, Vito Calderone, Giacomo Parigi, Claudio Luchinat, Antonio Macchiarulo, Stefano Menichetti, Marco Fragai
Published in: Angewandte Chemie, Issue 135, 2023, ISSN 0044-8249
Publisher: Wiley
DOI: 10.1002/ange.202303202

Field-dependent relaxation profiles of biomolecular systems

Author(s): Adam Kubrak, Rajka Pejanovic, Kahinga Kamau, Danuta Kruk, Fabien Ferrage, Giacomo Parigi
Published in: Physical Chemistry Chemical Physics, Issue 27, 2025, Page(s) 1756-1771, ISSN 1463-9076
Publisher: Royal Society of Chemistry
DOI: 10.1039/d4cp04306e

Large Protein Assemblies for High-Relaxivity Contrast Agents: The Case of Gadolinium-Labeled Asparaginase

Author(s): G. Licciardi, D. Rizzo, M. Salobehaj, L. Massai, A. Geri, L. Messori, E. Ravera, M. Fragai, G. Parigi
Published in: Bioconjugate Chemistry, Issue 33-12, 2022, Page(s) 2411–2419, ISSN 0020-1669
Publisher: American Chemical Society
DOI: 10.1021/acs.bioconjchem.2c00506

Iron Oxide Nanoparticles as Positive T1 Contrast Agents for Low-Field Magnetic Resonance Imaging at 64 mT

Author(s): Samuel Oberdick, Kalina Jordanova, John Lundstrom, Giacomo Parigi, Megan Poorman, Gary Zabow, Kathryn Keenan
Published in: Scientific Reports, 2023, ISSN 2045-2322
Publisher: Nature Publishing Group
DOI: 10.21203/rs.3.rs-2485292/v1

Sensitivity considerations on denoising series of spectra by singular value decomposition

Author(s): Francesco Bruno, Letizia Fiorucci, Enrico Ravera
Published in: Magnetic Resonance in Chemistry, Issue 61, 2023, Page(s) 373-379, ISSN 0749-1581
Publisher: John Wiley & Sons Inc.
DOI: 10.1002/mrc.5338

Engineered Nonviral Protein Cages Modified for MR Imaging

Author(s): M.A. Kaster, M.D. Levasseur, T.G.W. Edwardson, M.A. Caldwell, D. Hofmann, G. Licciardi, G. Parigi, C. Luchinat, D. Hilvert, T.J. Meade
Published in: ACS Applied Bio Materials, Issue 6, 2023, Page(s) 591-602, ISSN 1520-5126
Publisher: ACS
DOI: 10.1021/acsabm.2c00892

Revisiting paramagnetic relaxation enhancements in slowly rotating systems: how long is the long range?

Author(s): Giovanni Bellomo, Enrico Ravera, Vito Calderone, Mauro Botta, Marco Fragai, Giacomo Parigi, Claudio Luchinat
Published in: Magnetic Resonance, Issue 2/1, 2021, Page(s) 25-31, ISSN 2699-0016
Publisher: Copernicus
DOI: 10.5194/mr-2-25-2021

Explicit Models of Motion to Understand Protein Side-Chain Dynamics

Author(s): N. Bolik-Coulon, O. Languin-Cattoën, D. Carnevale, M. Zachrdla, D. Laage, F. Sterpone, G. Stirnemann, F. Ferrage
Published in: Physical review letters, Issue 129-20, 2022, Page(s) 203001, ISSN 0031-9007
Publisher: American Physical Society
DOI: 10.1103/physrevlett.129.203001

High Relaxivity with No Coordinated Waters: A Seemingly Paradoxical Behavior of [Gd(DOTP)]5– Embedded in Nanogels

Author(s): F. Carniato, M. Ricci, L. Tei, F. Garello, E. Terreno, E. Ravera, G. Parigi, C. Luchinat, M. Botta
Published in: Inorganic Chemistry, Issue 61, 2022, Page(s) 5380–5387, ISSN 0020-1669
Publisher: American Chemical Society
DOI: 10.1021/acs.inorgchem.2c00225