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

Computational Molecular Systems Biology


A Sivignon, J Bouckaert, J Bernard, SG Gouin, N Barnich
« The potential of FimH as a novel therapeutic target for the treatment of Crohn’s disease »
Expert Opin Ther Targets 21:837

O Marcu, EJ Dodson, N Alam, M Sperber, D Kozakov, MF Lensink, O Schueler-Furman
« FlexPepDock lessons from CAPRI peptide-protein rounds and suggested new criteria for assessment of model quality and utility »
Proteins 85:445

S Rabbani, EM Krammer, G Roos, A Zalewski, R Preston, S Eid, P Zihlmann, M Prevost, MF Lensink, A Thompson, B Ernst, J Bouckaert
« Mutation of Tyr137 of the universal Escherichia coli fimbrial FimH relaxes the tyrosine gate prior to mannose binding »
IUCrJ 4:7

M Touaibia, EM Krammer, TC Shiao, N Yamakawa, QA Wang, A Glinschert, A Papadopoulos, L Mousavifar, E Maes, S Oscarson, G Vergoten, MF Lensink, R Roy, J Bouckaert
« Sites for dynamic protein-carbohydrate interactions of O- and C-linked mannosides on the E. coli FimH adhesin »
Molecules 22:1101

MF Lensink, S Velankar, M Baek, L Heo, C Seok, SJ Wodak
« The challenge of modeling protein assemblies : the CASP12-CAPRI experiment »
Proteins Nov 10 : Epub ahead of print

R Blossey, AC Maggs, R Podgornik
« Structural interactions in ionic liquids linked to higher-order Poisson-Boltzmann equations »
Phys Rev E 95:060602

R Blossey
« Nucleation of twisted and tubular states in chiral ribbons »
Phys Rev E 96:032405

C Li, R Ye, J Bouckaert, A Zurutuza, D Drider, T Dumych, S Paryzhak, V Vovk, RO Bilyy, S Melinte, M Li, R Boukherroub, S Szunerits
« Flexible nanoholey patches for antibiotic-free treatments of skin infections »
ACS Appl Mater Interfaces 9:36665

D Alvarez Dorta, T Chalopin, A Sivignon, J de Ruyck, TI Dumych, RO Bilyy, D Deniaud, N Barnich, J Bouckaert, SG Gouin
« Physiochemical tuning of potent Escherichia coli anti-adhesives by microencapsulation and methylene homologation »
ChemMedChem 12:986

F Halouane, R Jijie, D Meziane, C Li, SK Singh, J Bouckaert, J Jurazek, S Kurungot, A Barras, M Li, R Boukherroub, S Szunerits
« Selective isolation of E. coli associated with urinary tract infection using anti-fimbrial modified magnetic reduced graphene oxide nanoheater »
J Mater Chem B 5:8133

S Boulahneche, R Jijie, A Barras, F Chekin, SK Singh, J Bouckaert, M Salah Medjram, S Kurungot, R Boukherroub, S Szunerits
« On demand electrochemical release of drugs from porous reduced graphene oxide modified flexible electrodes »
J Mater Chem B 5:6557

G Brysbaert, K Lorgouilloux, W Vranken, MF Lensink
« RINspector : a Cytoscape app for centrality analyses and DynaMine flexibility prediction »
Bioinformatics 34:294