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11th German Conference on Chemoinformatics (GCC 2015) : Fulda, Germany. 8-10 November 2015.
Fechner U, de Graaf C, Torda AE, Güssregen S, Evers A, Matter H, Hessler G, Richmond NJ, Schmidtke P, Segler MHS, Waller MP, Pleik S, Shea JE, Levine Z, Mullen R, van den Broek K, Epple M, Kuhn H, Truszkowski A, Zielesny A, Fraaije JH, Gracia RS, Kast SM, Bulusu KC, Bender A, Yosipof A, Nahum O, Senderowitz H, Krotzky T, Schulz R, Wolber G, Bietz S, Rarey M, Zimmermann MO, Lange A, Ruff M, Heidrich J, Onlia I, Exner TE, Boeckler FM, Bermudez M, Firaha DS, Hollóczki O, Kirchner B, Tautermann CS, Volkamer A, Eid S, Turk S, Rippmann F, Fulle S, Saleh N, Saladino G, Gervasio FL, Haensele E, Banting L, Whitley DC, Oliveira Santos JS, Bureau R, Clark T, Sandmann A, Lanig H, Kibies P, Heil J, Hoffgaard F, Frach R, Engel J, Smith S, Basu D, Rauh D, Kohlbacher O, Boeckler FM, Essex JW, Bodnarchuk MS, Ross GA, Finkelmann AR, Göller AH, Schneider G, Husch T, Schütter C, Balducci A, Korth M, Ntie-Kang F, Günther S, Sippl W, Mbaze LM, Ntie-Kang F, Simoben CV, Lifongo LL, Ntie-Kang F, Judson P, Barilla J, Lokajíček MV, Pisaková H, Simr P, Kireeva N, Petrov A, Ostroumov D, Solovev VP, Pervov VS, Friedrich NO, Sommer K, Rarey M, Kirchmair J, Proschak E, Weber J, Moser D, Kalinowski L, Ache… See abstract for full author list ➔ Fechner U, et al. Among authors: bureau r. J Cheminform. 2016 Apr 26;8(Suppl 1):18. doi: 10.1186/s13321-016-0119-5. J Cheminform. 2016. PMID: 29270804 Free PMC article. No abstract available.
Structure-guided design of pyridoclax derivatives based on Noxa / Mcl-1 interaction mode.
Hedir S, De Giorgi M, Fogha J, De Pascale M, Weiswald LB, Brotin E, Marekha B, Denoyelle C, Denis C, Suzanne P, Gautier F, Juin P, Ligat L, Lopez F, Carlier L, Legay R, Bureau R, Rault S, Poulain L, Oliveira Santos JS, Voisin-Chiret AS. Hedir S, et al. Among authors: bureau r. Eur J Med Chem. 2018 Nov 5;159:357-380. doi: 10.1016/j.ejmech.2018.10.003. Epub 2018 Oct 4. Eur J Med Chem. 2018. PMID: 30308410
Molecular design based on 3D pharmacophores. Applications to 5-HT7 receptors.
Lepailleur A, Bureau R, Lemaître S, Dauphin F, Lancelot JC, Contesse V, Lenglet S, Delarue C, Vaudry H, Rault S. Lepailleur A, et al. Among authors: bureau r. J Chem Inf Comput Sci. 2004 May-Jun;44(3):1148-52. doi: 10.1021/ci030036l. J Chem Inf Comput Sci. 2004. PMID: 15154784
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