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Accueil > Research > Research teams > Computational Molecular Systems Biology > Publications

Computational Molecular Systems Biology


G Brysbaert, T Mauri, J de Ruyck, MF Lensink
Identification of Key Residues in Proteins Through Centrality Analysis and Flexibility Prediction with RINspector.
Curr Protoc Bioinformatics. 2018 Nov 29:e66. doi : 10.1002/cpbi.66.

T Dumych, C Bridot, SG Gouin, MF Lensink, S Paryzha, S Szunerits, R Blossey, Rostyslav Bilyy, J Bouckaert , E-M Krammer
A novel integrated way for deciphering the glycan code for the FimH lectin. Molecules (MDPI) 2018

H Jafari, M Amiri, E Abdi, SL Navid, J Bouckaert, R Jijie, R Boukherroub, R Szunerits
Entrapment of uropathogenic E. coli cells into ultra-thin sol-gel matrices on gold thin films : a low cost alternative for impedimetric bacteria sensing.
Biosensors and Bioelectronics 2018 124-125, 161-166. Doi : 10.1016/j.bios.2018.10.029

M Dujardin, J Bouckaert, P Rucktooa, X Hanoulle
X-ray structure of alisporivir in complex with cyclophilin A at 1.5 Å resolution.
Acta Crystallographica Section F Structural Biology Communications 2018 74(9) 583-392. doi : 10.1107/S2053230X18010415

Eva-Maria Krammer, JMJ Bouckaert
Norovirus devours human milk oligosaccharides rich in α-fucose.
J. Biol. Chem. (Editor’s Pick) 2018 293(30) 11966–11967. doi : 10.1074/jbc.H118.004336

EM Krammer, G Roos, J Bouckaert, MF Lensink
Targeting Dynamical Binding Processes in the Design of Non-Antibiotic Anti-Adhesives by Molecular Simulation-The Example of FimH.
Molecules (Basel, Switzerland) 2018 23 (7) 1641 ; doi:10.3390/molecules23071641

R Jijie, A Barras, J Bouckaert, N Dumitrascu, S Szunerits, R Boukherroub Colloids and Surfaces. B
Enhanced antibacterial activity of carbon dots functionalized with ampicillin combined with visible light triggered photodynamic effects. Biointerfaces 2018 170 : 347-354. 10.1016/j.colsurfb.2018.06.040

Roxana Jijie, Alexandre Barras, Teodora Teslaru, Ionut Topala, Valentin Pohoata, Marius Dobromir, Tetiana Dumych, Julie Bouckaert, Sabine Szunerits, Nicoleta Dumitrascu and Rabah Boukherroub
Aqueous Medium-Induced Micropore Formation in Plasma Polymerized Polystyrene : An Effective Route to Inhibit Bacteria Adhesion.
J. Mater. Chem. B 2018 , 6, 3674-3683. 10.1039/c7tb02964k

Tetiana Dumych, Nao Yamakawa, Adeline Sivignon, Estelle Garenaux, Stefania Robakiewicz, Bernadette Coddeville, Antonino Bongiovanni, Fabrice Bray, Nicolas Barnich, Sabine Szunerits, Christian Slomianny, Martin Herrmann, Sébastien G. Gouin, Alexander D. Lutsyk, Luis E. Munoz, Frank Lafont, Christian Rolando, Rostyslav Bilyy and Julie M. J. Bouckaert
Oligomannose-Rich Membranes of Dying Intestinal Epithelial Cells Promote Host Colonization by Adherent-Invasive E. coli.
Frontiers in Microbiology 2018, doi : 10.3389/fmicb.2018.00742

J. de Ruyck, G. Roos, E.-M. Krammer, M. Prévost, M. F. Lensink and J. Bouckaert
Chapter 4 Molecular Mechanisms of Drug Action : X-ray Crystallography at the Basis of Structure-based and Ligand-based Drug Design.
RSC Biophysical Techniques in Drug Discovery Print ISBN : 978-1-78262-733-3. Doi : 10.1039/9781788010016

G Brysbaert, R Blossey, MF Lensink
« Residue Interaction Networks Identifies Additional Central Residues. »
Front Mol Biosci. 2018 Oct 11 ;5:88. doi : 10.3389/fmolb.2018.00088.

F Cleri, F Landuzzi, R Blossey
« Mechanical evolution of DNA double-strand breaks in the nucleosome. »
PLoS Comput Biol. 2018 Jun 14 ;14(6):e1006224. doi :

J de Ruyck, G Brysbaert, V Villeret, M Aumercier, MF Lensink
« Computational characterization of the binding mode between oncoprotein Ets-1 and DNA-repair enzymes. »
Proteins. 2018
doi : 10.1002/prot.25578.

G Brysbaert, T Mauri, MF Lensink
« Comparing protein structures with RINspector automation in Cytoscape »
F1000Research 2018, 7:563
doi : 10.12688/f1000research.14298.1

G Brysbaert, T Mauri, MF Lensink
« RINspector source code (Version 1.1.0) »
Zenodo. 2018
doi : 10.5281/zenodo.1240437

S Laulumaa, T Nieminen, A Raasakka, OC Krokengen, A Safaryan, EI Hallin, G Brysbaert, MF Lensink, S Ruskamo, I Vattulainen, P Kursula
« Structure and dynamics of a human myelin protein P2 portal region mutant indicate opening of the β barrel in fatty acid binding proteins »
BMC Structural Biology, 2018 accepted

R Blossey, H Schiessel
« The latest twists in chromatin remodeling »
Biophys J, Jan : Epub ahead of print

L Lopes de Carvalho, H Elovaara, J de Ruyck, G Vergoten, S Jalkanen, G Guedez, TA Salminen
« Mapping the interaction site and effect of the Siglec-9 inflammatory biomarker on human primary amine oxidase »
Sci Rep 8:2086

R Jijie, K Kahlouche, A Barras, N Yamakawa, J Bouckaert, T Gharbi, S Szunerits, R Boukherroub
« Reduced graphene oxide/polyethylenimine based immunosensor for the selective and sensitive electrochemical detection of uropathogenic Escherichia coli »
Sensors and Actuators B 260:255

E Lesne, E Dupre, MF Lensink, C Locht, R Antoine, F Jacob-Dubuisson
« Coiled coils antagonism regulates activity of Venus flytrap-domain-containing sensor-kinases of the BvgS family »
MBio 2018, accepted