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Benchmarking Commercial Conformer Ensemble Generators.
Friedrich NO, de Bruyn Kops C, Flachsenberg F, Sommer K, Rarey M, Kirchmair J. Friedrich NO, et al. Among authors: sommer k. J Chem Inf Model. 2017 Nov 27;57(11):2719-2728. doi: 10.1021/acs.jcim.7b00505. Epub 2017 Oct 18. J Chem Inf Model. 2017. PMID: 28967749
UNICON: A Powerful and Easy-to-Use Compound Library Converter.
Sommer K, Friedrich NO, Bietz S, Hilbig M, Inhester T, Rarey M. Sommer K, et al. J Chem Inf Model. 2016 Jun 27;56(6):1105-11. doi: 10.1021/acs.jcim.6b00069. Epub 2016 May 26. J Chem Inf Model. 2016. PMID: 27227368
Conformator: A Novel Method for the Generation of Conformer Ensembles.
Friedrich NO, Flachsenberg F, Meyder A, Sommer K, Kirchmair J, Rarey M. Friedrich NO, et al. Among authors: sommer k. J Chem Inf Model. 2019 Feb 25;59(2):731-742. doi: 10.1021/acs.jcim.8b00704. Epub 2019 Feb 12. J Chem Inf Model. 2019. PMID: 30747530
From cheminformatics to structure-based design: Web services and desktop applications based on the NAOMI library.
Bietz S, Inhester T, Lauck F, Sommer K, von Behren MM, Fährrolfes R, Flachsenberg F, Meyder A, Nittinger E, Otto T, Hilbig M, Schomburg KT, Volkamer A, Rarey M. Bietz S, et al. Among authors: sommer k. J Biotechnol. 2017 Nov 10;261:207-214. doi: 10.1016/j.jbiotec.2017.06.004. Epub 2017 Jun 11. J Biotechnol. 2017. PMID: 28610996 Free article. Review.
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: sommer k. 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.
375 results