Biophysics of Complex Systems

Our main interest is to combine biomolecular simulations with biophysical experiments to investigate protein structure, dynamics ad interaction.

Research areas

Our group focuses on the structural and dynamical characterization of intrinsically disordered and multi-domain proteins related to some important biological questions, namely, the bacterial silver resistance and schistosomiasis chronic parasitic disease. We are also developing fundamental approach aiming at combining biophysical methods with molecular dynamics simulations. For this purpose, we use NMR (Nuclear Magnetic Resonance), X-ray crystallography, Small angle X-ray and neutron scattering (SAXS,SANS), circular dichroism, Raman spectroscopy and High Performance computing.

Research projects

Elucidating the bacterial silver resistance mechanism: Silver antimicrobial properties have been used for thousands of years, from the Chaldeans as early as 4000 B.C.E. Despite this long-standing history and its demonstrated activity against Gram-negative bacteria, the complete bactericidal mode of action of silver remains unclear. To counteract the toxic effect of silver, Gram-negative bacteria have developed different resistance mechanisms, including the efficient transport of the metal out of the cell promoted by an efflux pump.

SilE is an interesting target to understand the silver resistance since this protein is only produced during bacterial growth in the presence of silver ions. Our research proposes to understand how SilE may transfer silver out of the cell by potentially interacting with possible protein partners like SilB, SilS or SilF. To reach our goal, we combine biophysical methods, namely Nuclear Magnetic Resonance (NMR) and Small Angle X-ray Scattering (SAXS) with hybrid molecular dynamics and in-vivo assays. See references related to the structural characterisation of SilE mimicking peptides, their interaction with silver and the interplay between SilB and SilE.

Host-parasite interactions – understanding immune evasion of parasitic worms: Parasitic trematodes of the genus Schistosoma are digenean with a complex life cycle, involving 2 free living stages and 2 hosts, a mollusk as intermediate and a mammal definitive one. Each life stage is adapted to its environment and modulates it in turn. We are interested in the macromolecules excreted and secreted by the stages infecting humans to understand their role in immune system modulation. In particular we focus on two families of highly variable proteins: Micro-exons genes (MEGs) and Venom antigen-like proteins (VALs). Both families have no enzymatic activities, are differently expressed during the lifetime and are particularly rich in Cys. On top of being transcribed by several genes, alternative splicing increases the variability and the number of isoforms per each gene product. We are producing in heterologous systems candidates of both families and characterising their structure by means of macromolecular crystallography (MX), SAXS, NMR and also their interactions with circulating host partners and receptors by means of molecular-scale biophysics (DLS, SPR, fluorescence spectroscopy). Moreover, given their abundance in blood circulation, VALs have been validated as biomarkers and are going to be exploited in a point-of-care (POC) diagnostic test, following the WHO NTD-Roadmap 2030.

The Prediction of NMR spin relaxation by Molecular dynamics: Dynamics is essential to proteins to perform interactions with biological partners. Among the vast landscape of biophysical methods, NMR possesses this exquisite potential to sample motions at different frequency through the measurement of various relaxation parameters. The interpretation of relaxation data is commonly subjected to the choice of a suitable model, like the model free approach for instance. We are seeking to develop an approach based on molecular dynamics to predict all the available NMR spin relaxation. See references related to the use of quaternion to predict the rotational diffusion tensor, the prediction of R1, R2 and NOEs and the use of polarisable force fields.

Partnerships

The group collaborates with other academic partners:

  • Spectrobio group at the Institut Lumière Matière (ILM) as part of the bacterial resistance project
  • Spectrobio group (ILM) and Micro and nano-biotechnology group as part of the schistosomiasis project (MITI CNRS project)
  • Prof Paiardini (Biochemical sciences, Sapienza University of Roma) as part of the neuroblastoma project

Prof Adriana Miele is president of the ARBRE association (Association of Resources for Biophysical Research in Europe) of which the group is a member.

Prof Adriana Miele is project leader of the Horizon-MSCA-2022-COFUND ArchiFun (2024-2029), a doctoral program involving the following universities: UCBL Lyon 1, University of Granada, University of Padua, Technological University of Munich, University of Vilnius and the National Institute of Chemistry in Ljubljana.

Experimental and instrumental capabilities

Our biochemistry lab allows the preparation of isotopically labeled recombinant proteins dedicated to NMR studies.

To achieve NMR experiments, two 600 MHz equipped with cryoprobes and a 400 MHz spectrometer are accessible. (NMR platform)

Molecular dynamics simulations are achieved either on a multi-CPU cluster or on several GPU based computers equipped with 16x graphic cards.

Our group is also equipped with different biophysical instruments :

  • A Chirascan circular dichroism spectrometer is also available for the characterization of protein secondary structures.
  • Microscope dedicated to the observation of crystallization screening micro-plates
  • Dynamic Light scattering instrument for protein control quality check

Staff

  • Researchers

    • Florian BLANC
    • Florence GUILLIERE
    • Maggy HOLOGNE
    • Adriana MIELE
    • Olivier WALKER

  • Engineers and Technicians

    • Marie MARTIN

  • PHD students

    • Flavio ISOPO
    • Lakshya Raj KHATRI
    • Sara LOCORRIERE
    • Simone ROSSI

  • Post-doctoral fellows

    • Giorgia Francesca CAMAGNI

Publications (sources HAL)

Journal articles (57 documents )

  • Morten Hulbæk Fog, Violaine Hubert, Corinne Sanglar, Marie Martin, Inès Hristovska, et al.. Solution-based studies on the contact between the complement receptor 3 ligand-binding domain and simvastatin. Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics, 2025, 1873 (6), pp.141096. ?10.1016/j.bbapap.2025.141096?. ?hal-05226565?
  • Aurélien Cuchet, Marie Martin, Anthony Anchisi, Frédéric Schiets, Guy Raffin, et al.. Analytical Strategy Overview to Identify Vegetable Oil Adulteration in Essential Oils: The Cypriol ( Cyperus scariosus L.) Essential Oil Workcase. Flavour and Fragrance Journal, 2025, ?10.1002/ffj.70023?. ?hal-05383594?
  • Maggy Hologne, Po-Chia Chen, François-Xavier Cantrelle, Olivier Walker. Molecular dynamics as an efficient process to predict 15 N chemical shift anisotropy at very high NMR magnetic fields. Physical Chemistry Chemical Physics, 2025, ?10.1039/D4CP03821E?. ?hal-04882570?
  • Valentina Andretto, Annalisa Rosso, Serena Zilio, Jacqueline Sidi-Boumedine, Gilles Boschetti, et al.. Peptide‐Based Hydrogel for Nanosystems Encapsulation: the Next Generation of Localized Delivery Systems for the Treatment of Intestinal Inflammations. Advanced Healthcare Materials, 2024, 13 (16), ?10.1002/adhm.202303280?. ?hal-04526888?
  • Clémence Gély, Yoan Monneau, Maggy Hologne, Karine Faure. Impact of conditioning runs on hydrophilic interaction chromatography repeatability and its application as a second dimension in online comprehensive two-dimensional liquid chromatography. Journal of Separation Science, 2024, 47, ?10.1002/jssc.202300935?. ?hal-04590635?
  • Nazha Hilali, Waralee Ruankham, Isaac Aarón Morales Frías, Francesca Bellagambi, Marie Hangouët, et al.. Copper-free click chemistry assisted antibodies for immunodetection of interleukin-10 in saliva. Microchemical Journal, 2023, 193, pp.108933. ?10.1016/j.microc.2023.108933?. ?hal-04953776?
  • Anis Madaci, Patcharapan Suwannin, Guy Raffin, Marie Hangouet, Marie Martin, et al.. A Sensitive Micro Conductometric Ethanol Sensor Based on an Alcohol Dehydrogenase-Gold Nanoparticle Chitosan Composite. Nanomaterials, 2023, 13 (16), pp.2316. ?10.3390/nano13162316?. ?hal-04204911?
  • Cyrielle Arrault, Yoan Rocky Monneau, Marie Martin, François-Xavier Cantrelle, Emmanuelle Boll, et al.. The battle for silver binding: How the interplay between the SilE, SilF, and SilB proteins contributes to the silver efflux pump mechanism. Journal of Biological Chemistry, 2023, 299 (8), pp.105004. ?10.1016/j.jbc.2023.105004?. ?hal-04172931?
  • Mauro Giorgi, Adriana Erica Miele, Silvia Cardarelli, Alessandra Giorgi, Mara Massimi, et al.. Structural Characterization of Murine Phosphodiesterase 5 Isoforms and Involvement of Cysteine Residues in Supramolecular Assembly. International Journal of Molecular Sciences, 2023, 24 (2), pp.1108. ?10.3390/ijms24021108?. ?hal-03989112?
  • Štěpánka Nedvědová, Davide de Stefano, Olivier Walker, Maggy Hologne, Adriana Erica Miele. Revisiting Schistosoma mansoni Micro-Exon Gene (MEG) Protein Family: A Tour into Conserved Motifs and Annotation. Biomolecules, 2023, 13 (9), pp.1275. ?10.3390/biom13091275?. ?hal-04189192?
  • Yoan Monneau, Cyrielle Arrault, Coraline Duroux, Marie Martin, Fabien Chirot, et al.. Structural and dynamical insights into SilE silver binding from combined analytical probes. Physical Chemistry Chemical Physics, 2023, 25 (4), pp.3061-3071. ?10.1039/D2CP04206A?. ?hal-03960103?
  • Stepanka Nedvedova, Florence Guillière, Adriana Erica Miele, François-Xavier Cantrelle, Jan Dvorak, et al.. Divide, conquer and reconstruct: How to solve the 3D structure of recalcitrant Micro-Exon Gene (MEG) protein from Schistosoma mansoni. PLoS ONE, 2023, 18 (8), pp.e0289444. ?10.1371/journal.pone.0289444?. ?hal-04177131?
  • Zoé Daverio, Maxime Kolkman, Johan Perrier, Lexane Brunet, Nadia Bendridi, et al.. Warburg-associated acidification represses lactic fermentation independently of lactate, contribution from real-time NMR on cell-free systems. Scientific Reports, 2023, 13 (1), pp.17733. ?10.1038/s41598-023-44783-3?. ?hal-04597981?
  • Ibrahim Musa, Guy Raffin, Marie Hangouet, Marie Martin, Joan Bausells, et al.. Electrospun PVC-nickel phthalocyanine composite nanofiber based conductometric methanol microsensor. Microchemical Journal, 2022, 182, pp.107899. ?10.1016/j.microc.2022.107899?. ?hal-03997245?
  • Julien Terrasse, Marie Martin, Sarah Dubail, Patrice Dole, Hervé Casabianca. Non-targeted screening of extracts from polyester-phenolic can coatings: Identification of new aldehyde molecules from resole-based resins. Talanta, 2022, 243, pp.123351. ?10.1016/j.talanta.2022.123351?. ?hal-03648101?
  • Pouyan Razmshoar, S.H. Bahrami, Mohammad Rabiee, Marie Hangouet, Marie Martin, et al.. A novel electrochemical immunosensor for ultrasensitive detection of tumor necrosis factor α based on polystyrene -PAMAM dendritic polymer blend nanofibers. Microchemical Journal, 2022, 175, pp.107206. ?10.1016/j.microc.2022.107206?. ?hal-03997116?
  • Silvia Cardarelli, Adriana Erica Miele, Federica Campolo, Mara Massimi, Patrizia Mancini, et al.. Cellular Redox Metabolism Is Modulated by the Distinct Localization of Cyclic Nucleotide Phosphodiesterase 5A Isoforms. International Journal of Molecular Sciences, 2022, 23 (15), pp.8587. ?10.3390/ijms23158587?. ?hal-04004278?
  • Rania Mechichi, Taha Chabbah, Saber Chatti, Ibtissem Jlalia, Corinne Sanglar, et al.. Semi-interpenetrating Network-Coated Silica Gel Based on Green Resources for the Efficient Adsorption of Aromatic Pollutants from Waters. Chemistry Africa, In press, ?10.1007/s42250-022-00463-9?. ?hal-03772893?
  • Tingting Niu, Charlotte de Rosny, Séverine Chautard, Amaury Rey, Danish Patoli, et al.. NLRP3 phosphorylation in its LRR domain critically regulates inflammasome assembly. Nature Communications, 2021, 12 (1), pp.Article number: 5862. ?10.1038/s41467-021-26142-w?. ?hal-03401509?
  • Frank Gondelaud, Mathilde Bouakil, Aurélien Le Fèvre, Adriana Erica Miele, Fabien Chirot, et al.. Extended disorder at the cell surface: The conformational landscape of the ectodomains of syndecans. Matrix Biology Plus, 2021, 12 (3-4), pp.100081. ?10.1016/j.mbplus.2021.100081?. ?hal-04004263?
  • Hassen Touzi, Yves Chevalier, Marie Martin, Hafedh Ben Ouada, Nicole Jaffrezic-Renault. Detection of Gadolinium with an Impedimetric Platform Based on Gold Electrodes Functionalized by 2-Methylpyridine-Substituted Cyclam. Sensors, 2021, 21 (5), pp.1658. ?10.3390/s21051658?. ?hal-03318450?
  • Frank Gondelaud, Mathilde Bouakil, Aurélien Le Fèvre, Adriana E. Miele, Fabien Chirot, et al.. Extended disorder at the cell surface: The conformational landscape of the ectodomains of syndecans. Matrix Biology Plus, 2021, 12, pp.100081. ?10.1016/j.mbplus.2021.100081?. ?hal-04998857?
  • Lucille Babel, Minh-Ha Nguyen, Cédric Mittelheisser, Marie Martin, Katharina Fromm, et al.. NMR reveals the interplay between SilE and SilB model peptides in the context of silver resistance. Chemical Communications, 2021, 57, pp.8726-8729. ?10.1039/d1cc02597j?. ?hal-03324047?
  • Moreno Marcellini, Minh-Ha Nguyen, Marie Martin, Maggy Hologne, Olivier Walker. Accurate Prediction of Protein NMR Spin Relaxation by Means of Polarizable Force Fields. Application to Strongly Anisotropic Rotational Diffusion. Journal of Physical Chemistry B, 2020, 124 (25), pp.5103-5112. ?10.1021/acs.jpcb.0c01922?. ?hal-03968000?
  • Charline Bottinelli, Maggy Hologne, Kévin Revelut, Yvan Gaillard, Fabien Bévalot. GC-MS, GC-QTOF and NMR analyses to elucidate composition of 41 powders from an NPS collector. Toxicologie Analytique et Clinique, 2019, 31 (4), pp.275-282. ?10.1016/j.toxac.2019.10.002?. ?hal-02437094?
  • Minh-Ha Nguyen, Marie Martin, Henry Kim, Frank Gabel, Olivier Walker, et al.. Molecular recognition of ubiquitin and Lys63-linked diubiquitin by STAM2 UIM-SH3 dual domain: the effect of its linker length and flexibility. Scientific Reports, 2019, 9 (1), pp.14645. ?10.1038/s41598-019-51182-0?. ?hal-03968013?
  • Sophie Salle, Sandra Bodeau, Alice Dhersin, Mathilde Ferdonnet, Ruben Goncalves, et al.. Novel synthetic opioids: A review of the literature. Toxicologie Analytique et Clinique, 2019, 31 (4), pp.298-316. ?10.1016/j.toxac.2019.10.001?. ?hal-03831193?
  • Minh-Ha Nguyen, Marie Martin, Henry Kim, Frank Gabel, Olivier Walker, et al.. Molecular recognition of ubiquitin and Lys63-linked diubiquitin by STAM2 UIM-SH3 dual domain: the effect of its linker length and flexibility. Scientific Reports, 2019, 9 (1), ?10.1038/s41598-019-51182-0?. ?hal-02441244?
  • Louis-Marie Bloyet, Antoine Schramm, Carine Lazert, Bertrand Raynal, Maggy Hologne, et al.. Regulation of measles virus gene expression by P protein coiled-coil properties. Science Advances , 2019, 5 (5), pp.eaaw3702. ?10.1126/sciadv.aaw3702?. ?hal-02133726?
  • Po-Chia Chen, Maggy Hologne, Olivier Walker, Janosch Hennig. Ab Initio Prediction of NMR Spin Relaxation Parameters from Molecular Dynamics Simulations. Journal of Chemical Theory and Computation, 2018, 14 (2), pp.1009 - 1019. ?10.1021/acs.jctc.7b00750?. ?hal-01767727?
  • Valentin Chabert, Maggy Hologne, Olivier Sénèque, Olivier Walker, Katharina Fromm. Alpha-helical folding of SilE models upon Ag(His)(Met) motif formation. Chemical Communications, 2018, 54 (74), pp.10419 - 10422. ?10.1039/c8cc03784a?. ?hal-01900232?
  • Amina Boughougal, Fatma Zohra Cherchali, Amel Messai, Nina Attik, Dominique Decoret, et al.. New model of metalloantibiotic: synthesis, structure and biological activity of a zinc( ii ) mononuclear complex carrying two enrofloxacin and sulfadiazine antibiotics. New Journal of Chemistry, 2018, 42 (18), pp.15346-15352. ?10.1039/c8nj01774c?. ?hal-01900225?
  • Mark Nakasone, Timothy A. Lewis, Olivier Walker, Anita Thakur, Wissam Mansour, et al.. Structural Basis for the Inhibitory Effects of Ubistatins in the Ubiquitin-Proteasome Pathway. Structure, 2017, 25 (12), pp.1839 - 1855.e11. ?10.1016/j.str.2017.10.007?. ?hal-01679528?
  • V. Chabert, Maggy Hologne, O. Sénéque, A. Crochet, Olivier Walker, et al.. Model peptide studies of Ag + binding sites from the silver resistance protein SilE. Chemical Communications, 2017, 53 (45), pp.6105 - 6108. ?10.1039/c7cc02630g?. ?hal-01546472?
  • Po-Chia Chen, Maggy Hologne, Olivier Walker. Computing the rotational diffusion of biomolecules via molecular dynamics simulation and quaternion orientations . Journal of Physical Chemistry B, 2017, 121 (8), pp.1812-1823. ?10.1021/acs.jpcb.6b11703?. ?hal-01520066?
  • Virginie Ladroue, Anaïs Stemmelen, Fabrice Besacier, Maggy Hologne. Les NPS en vogue en région Rhône-Alpes : rapport de cas. Toxicologie Analytique et Clinique, 2016, 28 (4), pp.311-322. ?10.1016/j.toxac.2016.03.006?. ?hal-01546484?
  • Maggy Hologne, Xavier Cantrelle, Gwladys Riviere, Florence Guillière, Xavier Trivelli, et al.. NMR Reveals the Interplay among the AMSH SH3 Binding Motif, STAM2, and Lys63-Linked Diubiquitin.. Journal of Molecular Biology, 2016, 428 (22), pp.4544-4558. ?10.1016/j.jmb.2016.10.002?. ?hal-01546483?
  • Carlos A Castaneda, Emma K Dixon, Olivier Walker, Apurva Chaturvedi, Mark A Nakasone, et al.. Linkage via K27 bestows ubiquitin chains with unique properties among polyubiquitins. Structure, 2016, 24 (3), pp.423-436. ?10.1016/j.str.2016.01.007?. ?hal-01359763?
  • Urszula Nowicka, Daoning Zhang, Olivier Walker, Daria Krutauz, Carlos A Castaneda, et al.. DNA-damage-inducible 1 protein (Ddi1) contains an uncharacteristic ubiquitin-like domain that binds ubiquitin. Structure, 2015, 23 (3), pp.542-557. ?10.1016/j.str.2015.01.010?. ?hal-01187309?
  • Maggy Hologne, Alexandra Gaubert, Sanglar Corinne, Claire Bordes, Hervé Casabianca. New validation of molecular mass measurements by means of 2D DOSY H-1 NMR experiments: application to surfactants. Comptes Rendus. Chimie, 2015, 18 (2), pp.187-192. ?10.1016/j.crci.2014.05.008?. ?hal-01187373?
  • Zoi Erpapazoglou, Olivier Walker, Rosine Haguenauer-Tsapis. Versatile Roles of K63-Linked Ubiquitin Chains in Trafficking. STEM CELLS, 2014, 3 (4), pp.1027-1088. ?10.3390/cells3041027?. ?hal-01128389?
  • David Fushman, Olivier Walker. Exploring the Linkage Dependence of Polyubiquitin Conformations Using Molecular Modeling. Journal of Molecular Biology, 2010, 395 (4), pp.803-814. ?10.1016/j.jmb.2009.10.039?. ?hal-04887933?
  • Jung-Sung Chung, Valérie Noguera-Mazon, Jean-Marc Lancelin, Sung-Kun Kim, Masakazu Hirasawa, et al.. Interaction Domain on Thioredoxin for Pseudomonas aeruginosa 5′-Adenylylsulfate Reductase. Journal of Biological Chemistry, 2009, 284 (45), pp.31181-31189. ?10.1074/jbc.M109.035634?. ?hal-04707814?
  • Valérie Noguera-Mazon, Isabelle Krimm, Olivier Walker, Jean-Marc Lancelin. Protein–protein interactions within peroxiredoxin systems. Photosynthesis Research, 2006, 89 (2-3), pp.277-290. ?10.1007/s11120-006-9106-4?. ?hal-04887927?
  • Bernd Reif, Yi Xue, Vipin Agarwal, Maria Pavlova, Maggy Hologne, et al.. Protein Side-Chain Dynamics Observed by Solution- and Solid-State NMR: Comparative Analysis of Methyl 2 H Relaxation Data. Journal of the American Chemical Society, 2006, 128 (38), pp.12354-12355. ?10.1021/ja062808a?. ?hal-04707811?
  • Maggy Hologne, Veniamin Chevelkov, Bernd Reif. Deuterated peptides and proteins in MAS solid-state NMR. Progress in Nuclear Magnetic Resonance Spectroscopy, 2006, 48 (4), pp.211-232. ?10.1016/j.pnmrs.2006.05.004?. ?hal-04707819?
  • Maggy Hologne, Zhongjing Chen, Bernd Reif. Characterization of dynamic processes using deuterium in uniformly 2H,13C,15N enriched peptides by MAS solid-state NMR. Journal of Magnetic Resonance, 2006, 179 (1), pp.20-28. ?10.1016/j.jmr.2005.10.014?. ?hal-04707804?
  • Maggy Hologne, Jésus Raya, Jérôme Hirschinger. 13C/15N distance determination by CPMAS NMR in uniformly13C labeled molecules. Magnetic Resonance in Chemistry, 2006, 44 (2), pp.174-177. ?10.1002/mrc.1744?. ?hal-04708031?
  • Maggy Hologne, Katja Faelber, Anne Diehl, Bernd Reif. Characterization of Dynamics of Perdeuterated Proteins by MAS Solid-State NMR. Journal of the American Chemical Society, 2005, 127 (32), pp.11208-11209. ?10.1021/ja051830l?. ?hal-04708034?
  • Maggy Hologne, Jérôme Hirschinger. Molecular dynamics as studied by static-powder and magic-angle spinning 2H NMR. Solid State Nuclear Magnetic Resonance, 2004, 26 (1), pp.1-10. ?10.1016/S0926-2040(03)00062-6?. ?hal-04708037?
  • Jennifer Blake-Hall, Oliver Walker, David Fushman. Characterization of the Overall Rotational Diffusion of a Protein From 15N Relaxation Measurements and Hydrodynamic Calculations. Methods in Molecular Biology, 2004, 278, pp.139-160. ?10.1385/1-59259-809-9:139?. ?hal-04887900?
  • O. Walker, P. Mutzenhardt, D. Canet. Heteronuclear Overhauser experiments for symmetric molecules. Magnetic Resonance in Chemistry, 2003, 41 (10), pp.776-781. ?10.1002/mrc.1255?. ?hal-04887344?
  • Ana Chattah, Fernando Cucchietti, Maggy Hologne, Jésus Raya, Patricia Levstein. Radiofrequency‐induced temperature increase as a function of cross polarization contact time in 8CB. Magnetic Resonance in Chemistry, 2002, 40 (12), pp.772-776. ?10.1002/mrc.1094?. ?hal-04708044?
  • O. Walker, P. Mutzenhardt, E. Haloui, J.-C. Boubel, D. Canet. Determination of the rotation-diffusion tensor orientation from NMR 13C-1H cross-relaxation rates. Molecular Physics, 2002, 100 (17), pp.2755-2761. ?10.1080/00268970210141199?. ?hal-04887317?
  • O. Walker, P. Mutzenhardt, J.P. Joly, D. Canet. Solvent dependence of rotational anisotropy and molecular geometry as probed by NMR cross-relaxation rates. Chemical Physics Letters, 2002, 357 (1-2), pp.103-107. ?10.1016/s0009-2614(02)00449-9?. ?hal-04887293?
  • O. Walker, P. Mutzenhardt, P. Tekely, D. Canet. Determination of Carbon-13 Chemical Shielding Tensor in the Liquid State by Combining NMR Relaxation Experiments and Quantum Chemical Calculations. Journal of the American Chemical Society, 2002, 124 (5), pp.865-873. ?10.1021/ja0166702?. ?hal-04887321?
  • Pierre Mutzenhardt, O. Walker, Daniel Canet, E. Haloui, Istvan Furo. Anisotropy of molecular reorientation and geometrical information as determined from short and long range 13C-1H spin cross-relaxation rates. Molecular Physics, 1998, 94 (3), pp.565. ?10.1080/002689798168079?. ?hal-04891261?