BIS, Bio-Informatique Structurale
Institut Pasteur
Département de Biologie Structurale et Chimie DBSC
25-28 rue du Dr. Roux
75015 Paris
Spécialité : Interface chimie-biologie, Transport membranaire, Modélisation moléculaire, Biologie structurale, Approche in silico, Bioinformatique structurelle.
Directeur de l’unité de rattachement : Paola ARIMONDO
Responsable de l’équipe de recherche
NILGES Michael
Courriel :michael.nilges@pasteur.fr
Tél. : 01 45 68 82 30
Composition de l’équipe de recherche :
- NILGES Michael (PR,HDR)
- BLONDEL Arnaud (CR, HDR)
- BOUVIER Guillaume (CR)
- CHAU Pak-Lee (CR)
- SPERANDIO Olivier (CR, HDR)
- DUCLERT-SAVATIER Nathalie (IR)
5 publications récentes de l’équipe
Legru A, Batista FA, Puszko AK, Bouillon A, Maurel M, Martinez M, Ejjoummany A, Ortega Varga L, Adler P, Méchaly A, Hadjadj M, Sosnowski P, Hopfgartner G, Alzari PM, Blondel A, Haouz A, Barale JC, Hernandez JF. (2024) “Insights from structure-activity relationships and the binding mode of peptidic α-ketoamide inhibitors of the malaria drug target subtilisin-like SUB1” Eur. J. Med. Chem. doi: 10.1016/j.ejmech.2024.116308. PMID: 38503166, HAL: pasteur-04560850.
Hwang, W., Austin, S. L., Blondel, A., Boittier, E. D., Boresch, S., Buck, M., Buckner, J., Caflisch, A., Chang, H., Cheng, X., Choi, Y. K., Chu, J., Crowley, M. F., Cui, Q., Damjanovic, A., Deng, Y., Devereux, M., Ding, X., Feig, M. F., Gao, J., Glowacki, D. R., Gonzales, II, J. E., Hamaneh, M. B., Harder, E. D., Hayes, R. L., Huang, J., Huang, Y., Hudson, P. S., Im, W., Islam, S. M., Jiang, W., Jones, M. R., Käser, S., Kearns, F. L., Kern, N. R., Klauda, J. B., Lazaridis, T., Lee, J., Lemkul, J. A., Liu, X., Luo, Y., MacKerell, Jr., A. D., Major, D. T., Meuwly, M., Nam, K., Nilsson, L., Ovchinnikov, V., Paci, E., Park, S., Pastor, R. W., Pittman, A. R., Post, C. B., Prasad, S., Pu, J., Qi, Y., Rathinavelan, T., Roe, D. R., Roux, B., Rowley, C. N., Shen, J., Simmonett, A. C., Sodt, A. J., Töpfer, K., Upadhyay, M., Vaart A. v. d., Vazquez-Salazar, L. I., Venable, R. M., Warrensford, L. C., Woodcock, H. L., Wu, Y., Brooks, III, C. L., Brooks, B. R., and, Karplus M., (2024) “CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed” J. Phys. Chem. B, 128, 41, 9976–10042, https://doi.org/10.1021/acs.jpcb.4c04100
Mareuil, F., Moine-Franel, A., Kar, A., Nilges, M., Ciambur, C.B., Sperandio, O. (2024) “Protein interaction explorer (PIE): a comprehensive platform for navigating protein–protein interactions and ligand binding pockets” Bioinformatics 40 (7), btae414 2024
Moine-Franel, A., Mareuil, F., Nilges, M., Ciambur, C.B., Sperandio, O. (2024) “A comprehensive dataset of protein-protein interactions and ligand binding pockets for advancing drug discovery” Scientific Data 11 (1), 402
Mareuil F, Torchet R, Ruano LC, Mallet V, Nilges M, Bouvier G, Sperandio O. InDeepNet: a web platform for predicting functional binding sites in proteins using InDeep. Nucleic Acids Res. 2025 Jul 7;53(W1):W324-W329. doi: 10.1093/nar/gkaf403. PMID: 40337922; PMCID: PMC12230713.