2025

  • Mechanism of Ag+-induced Folding of a Bacterial Peptide from Replica-Exchange Molecular Simulations

F.E.C. Blanc, M. Hologne, M. Demontrond, H. Chermette and O.Walker

ChemRxiv. 2025; doi:10.26434/chemrxiv-2025-pfwmz


Maggy Hologne, Po-Chia Chen, François-Xavier Cantrelle and Olivier Walker

Phys. Chem. Chem. Phys, 2025, 27, 2320-2332


2024

  • Peptide-Based Hydrogel for Nanosystems Encapsulation: the Next Generation of Localized Delivery Systems for the Treatment of Intestinal Inflammations

Andretto V, Rosso A, Zilio S, Sidi-Boumedine J, Boschetti G, Sankar S, Buffier M, Miele AE, Denis M, Choffour PA, Briançon S, Nancey S, Kryza D, Lollo G. 

 Adv Healthc Mater. 2024 Mar 6:e2303280. 


  • Impact of conditioning runs on hydrophilic interaction chromatography (HILIC) repeatability and its application as a second dimension in online comprehensive two-dimensional liquid chromatography

C. Gély, Y.R. Monneau, M. Hologne and K. Faure

J. Sep. Sci., 2024, 47 (9-10), 2300935,


2023

  • Divide, conquer and reconstruct: How to solve the 3D structure of recalcitrant Micro-Exon Gene (MEG) protein from Schistosoma mansoni

Stepanka Nedvedova, Florence Guillière, Adriana Erica Miele, François-Xavier Cantrelle, Jan Dvorak, Olivier Walker and Maggy Hologne

PLoS ONE, 2023, 18 (8), pp.e0289444


  • Revisiting Schistosoma mansoni Micro-Exon Gene (MEG) Protein Family: A Tour into Conserved Motifs and Annotation. 

Štěpánka Nedvědová, Davide de Stefano, Olivier Walker, Maggy Hologne and Adriana Erica Miele.

Biomolecules, 2023, 13 (9),1275.


  • The battle for silver binding: How the interplay between the SilE, SilF, and SilB proteins contributes to the silver efflux pump mechanism

Cyrielle Arrault, Yoan Rocky Monneau, Marie Martin, François-Xavier Cantrelle, Emmanuelle Boll, Fabien Chirot, Clothilde Comby Zerbino , Olivier Walker  and Maggy Hologne

 J. Biol. Chem. 2023, 299 (8), 105004


  • Structural and dynamical insights into SilE silver binding from combined analytical probes

Yoan Monneau, Cyrielle Arrault, Coraline Duroux, Marie Martin, Fabien Chirot, Luke Mac Aleese, Marion Girod, Clothilde Comby-Zerbino, Agnès Hagège, Olivier Walker and  Maggy Hologne

Phys. Chem. Chem. Phys, 2023, 25 (4), 3061-3071


  • Structural Characterization of Murine Phosphodiesterase 5 Isoforms and Involvement of Cysteine Residues in Supramolecular Assembly

Mauro Giorgi, Adriana Erica Miele, Silvia Cardarelli, Alessandra Giorgi, Mara Massimi, Stefano Biagioni and Michele Saliola

Int. J. Mol. Sci., 2023, 24 (2), 1108


2022

  • Cellular Redox Metabolism Is Modulated by the Distinct Localization of Cyclic Nucleotide Phosphodiesterase 5A Isoforms

Silvia Cardarelli, Adriana Erica Miele, Federica Campolo, Mara Massimi, Patrizia Mancini, Stefano Biagioni, Fabio Naro, Mauro Giorgi and Michele Saliola

Int. J. Mol. Sci., 2022, 23 (15), 8587


2021

  • NLRP3 phosphorylation in its LRR domain critically regulates inflammasome assembly

T. Niu, C. De Rosny, S. Chautard, A. Rey, D. Patoli,M. Groslambert, C. Cosson, B. Lagrange, Z. Zhang, O. Visvikis, S. Hacot, M. Hologne, O. Walker, J. Wong, P. Wang, R. Ricci, T. Henry, L. Boyer, V. Petrilli and B. Py

Nat. Commun., 2021, 12(1), 5862


  • NMR reveals the interplay between SilE and SilB model peptides in the context of silver resistance

L. Babel, M-H. Nguyen, C. Mittelheisser, M. Martin, K. Fromm, O. Walker and M. Hologne

Chem. Commun., 2021, 57(70), 8726-8729


  • Theoretical study and analytical performance of a lysozyme impedimetric microsensor based on a molecularly imprinted chitosan film

F. Zouaoui, S. Bourouina-Bacha, M. Bourouina, A. Alcacer, J. Bausells, M. Martin, F. Bessueille, S. Minot, N. Jaffrezic-Renault, N. Zine, A. Errachid

Sens. Actuators B, 2021, 339


  • Detection of Gadolinium with an Impedimetric Platform Based on Gold Electrodes Functionalized by 2-Methylpyridine-Substituted Cyclam

H. Touzi, Y. Chevalier, M. Martin, H. Ben Ouada, N. Jaffrezic-Renault

Sensors, 2021, 21(5), 1658



2020

  • Accurate Prediction of Protein NMR Spin Relaxation by Means of Polarizable Force Fields. Application to Strongly Anisotropic Rotational Diffusion

M. Marcellini, M-H. Nguyen , M. Martin , M. Hologne and O. Walker

J. Phys. Chem. B, 2020, 124, 25, 5103–5112



2019

  • Molecular recognition of ubiquitin and Lys63-linked diubiquitin by STAM2 UIM-SH3 dual domain: the effect of its linker length and flexibility

M-H. Nguyen , M. Martin , H. Kim , F. Gabel , O. Walker and M. Hologne

Sci. Rep, 2019, 2019, 9, 14645


  • Regulation of measles virus gene expression by P protein coiled coil properties.

Bloyet, L-M.; Schramm, A.; Lazert, C.; Raynal, B.; Hologne, M.; Walker, O.; Longhi, S.; Gerlier, D.,

Sci. Adv, 2019, Vol. 5, no. 5, eaaw3702



2018

  • New model of metalloantibiotic: synthesis, structure and biological activity of a zinc(ii) mononuclear complex carrying two enrofloxacin

and sulfadiazine antibiotics

Boughougal, A., Cherchali, FZ., Messai, A., Attik, N., Decoret, D., Hologne, M., Sanglar, C., Pilet, G., Tommasino, JB., Luneau, D.

New. J. Chem., 2018, 42(18), 15346-15352


  • Alpha-helical folding of SilE models upon Ag(His)(Met) motif formation.

V. Chabert, M. Hologne, O. Seneque, O. Walker, KM. Fromm

Chem. Commun, 2018, 54(74), 10419-10422


  • Ab-initio Prediction of NMR Spin-Relaxation Parameters from Molecular Dynamics Simulations

P-C. Chen, M. Hologne, O. Walker and J. Hennig

J. Chem. Theory. Comput., 2018, 14(2), 1009-1019



2017

  • Structural basis for the inhibitory effects of ubistatins in the ubiquitin-proteasome pathway

M. A. Nakasone, T. A. Lewis, O. Walker, A. Thakur, W. Mansour, C. A. Castañeda, J. L. Goeckeler-Fried, F. Parlati, T-F Chou

O. Hayat, D. Zhang, C. M. Camara, S. M. Bonn, U. K. Nowicka, S. Krueger, M. H. Glickman, J. L. Brodsky, R. J. Deshaies, D. Fushman

Structure, 2017, 25(12), 1-29


  • Model peptide studies of Ag+ binding sites from the silver resistance protein SilE

V. Chabert, M. Hologne, O. Sénèque, A. Crochet, O. Walker, KM. Fromm

Chem. Commun, 2017, 53(45), 6105-6108


  • Computing the Rotational Diffusion of Biomolecules via Molecular Dynamics Simulation and Quaternion Orientations

P.C. Chen, M. Hologne, O. Walker

J. Phys. Chem B, 2017, 121(8), 1812-1823



2016

  • NMR reveals the interplay between the AMSH SH3 binding motif, STAM2 and Lys63-linked diubiquitin

M. Hologne, F-X. Cantrelle, G. Riviere, F. Guillière, X. Trivelli, O. Walker

J. Mol. Biol, 2016, 428(22), 4544-4558


  • Francisella tularensis IglG Belongs to a Novel Family of PAAR-Like T6SS Proteins and Harbors a Unique N-terminal Extension Required for Virulence

M. Rigard, J.E. Bröms, A. Mosnier, M. Hologne, A. Martin, L. Lindgren, C. Punginelli, C. Lays, O. Walker, A. Charbit, P. Telouk, W.Conlan, L. Terradot, A. Sjöstedt, T. Henry

Plos Pathogens, 2016, 12(9)


  • Linkage via K27 bestows ubiquitin chains with unique properties among polyubiquitins

C. A. Castaneda, E. Dixon, O. Walker, A. Chaturvedi, M. A. Nakasone, J. E. Curtis, M. R. Reed, S. Krueger, T. A. Cropp, D. Fushman

Structure, 2016, 24(3), 423-436



2015

  • DNA-damage-inducible 1 protein (Ddi1) contains an uncharacteristic ubiquitinlike domain that binds ubiquitin

U. Nowicka, D. Zhang, O. Walker, D. Krutauz, C.A. Castañeda, A. Chaturvedi, T.Y. Chen, N. Reis, M.H. Glickman and D. Fushman

Structure, 2015, 23(3), 542-557


  • Funnel Metadynamics and Solution NMR to Estimate Protein-Ligand Affinities

L. Troussicot, F. Guillière, V. Limongelli, O. Walker, J-M. Lancelin

J. Am. Chem. Soc, 2015, 137(3), 1273-1281