Publications

Found 10 results
Filters: Keyword is Molecular Docking Simulation  [Clear All Filters]
2018
Singh, R. Kumar, A. Feller, M. Roovers, D. Van Elder, L. Wauters, L. Droogmans, and W. Versées, "Structural and biochemical analysis of the dual-specificity Trm10 enzyme from prompts reconsideration of its catalytic mechanism.", RNA, vol. 24, issue 8, pp. 1080-1092, 2018 08.
2017
Rosado, L. Astolfi, K. Wahni, G. Degiacomi, B. Pedre, D. Young, A. G. de la Rubia, F. Boldrin, E. Martens, L. Marcos-Pascual, E. Sancho-Vaello, et al., "The antibacterial prodrug activator Rv2466c is a mycothiol-dependent reductase in the oxidative stress response of .", J Biol Chem, vol. 292, issue 32, pp. 13097-13110, 2017 08 11.
Joncour, A., N. Desroy, C. Housseman, X. Bock, N. Bienvenu, L. Cherel, V. Labeguere, C. Peixoto, D. Annoot, L. Lepissier, et al., "Discovery, Structure-Activity Relationship, and Binding Mode of an Imidazo[1,2-a]pyridine Series of Autotaxin Inhibitors.", J Med Chem, vol. 60, issue 17, pp. 7371-7392, 2017 Sep 14.
Wohlkonig, A., H. Remaut, M. Moune, A. Tanina, F. Meyer, M. Desroses, J. Steyaert, N. Willand, A. R. Baulard, and R. Wintjens, "Structural analysis of the interaction between spiroisoxazoline SMARt-420 and the Mycobacterium tuberculosis repressor EthR2.", Biochem Biophys Res Commun, vol. 487, issue 2, pp. 403-408, 2017 05 27.
2016
Van Laer, B., M. Roovers, L. Wauters, J. M. Kasprzak, M. Dyzma, E. Deyaert, R. Kumar Singh, A. Feller, J. M. Bujnicki, L. Droogmans, et al., "Structural and functional insights into tRNA binding and adenosine N1-methylation by an archaeal Trm10 homologue.", Nucleic Acids Res, vol. 44, issue 2, pp. 940-53, 2016 Jan 29.
2014
Lensink, M. F., I. H. Moal, P. A. Bates, P. L. Kastritis, A. S. J. Melquiond, E. Karaca, C. Schmitz, M. van Dijk, A. M. J. J. Bonvin, M. Eisenstein, et al., "Blind prediction of interfacial water positions in CAPRI.", Proteins, vol. 82, issue 4, pp. 620-32, 2014 Apr.
Fislage, M., E. Brosens, E. Deyaert, A. Spilotros, E. Pardon, R. Loris, J. Steyaert, A. Garcia-Pino, and W. Versées, "SAXS analysis of the tRNA-modifying enzyme complex MnmE/MnmG reveals a novel interaction mode and GTP-induced oligomerization.", Nucleic Acids Res, vol. 42, issue 9, pp. 5978-92, 2014 May.
Lensink, M. F., and S. J. Wodak, "Score_set: a CAPRI benchmark for scoring protein complexes.", Proteins, vol. 82, issue 11, pp. 3163-9, 2014 Nov.
2013
Lensink, M. F., and S. J. Wodak, "Docking, scoring, and affinity prediction in CAPRI.", Proteins, vol. 81, issue 12, pp. 2082-95, 2013 Dec.
Vercruysse, T., E. Boons, T. Venken, E. Vanstreels, A. Voet, J. Steyaert, M. De Maeyer, and D. Daelemans, "Mapping the binding interface between an HIV-1 inhibiting intrabody and the viral protein Rev.", PLoS One, vol. 8, issue 4, pp. e60259, 2013.