Lange A - Search Results

1

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: lange a. 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.

2

Halogen-enriched fragment libraries as chemical probes for harnessing halogen bonding in fragment-based lead discovery.

Zimmermann MO, Lange A, Wilcken R, Cieslik MB, Exner TE, Joerger AC, Koch P, Boeckler FM. Zimmermann MO, et al. Among authors: lange a. Future Med Chem. 2014 Apr;6(6):617-39. doi: 10.4155/fmc.14.20. Future Med Chem. 2014. PMID: 24895892

3

Evaluating the potential of halogen bonding in molecular design: automated scaffold decoration using the new scoring function XBScore.

Zimmermann MO, Lange A, Boeckler FM. Zimmermann MO, et al. Among authors: lange a. J Chem Inf Model. 2015 Mar 23;55(3):687-99. doi: 10.1021/ci5007118. Epub 2015 Feb 19. J Chem Inf Model. 2015. PMID: 25654403

4

Targeting the Gatekeeper MET146 of C-Jun N-Terminal Kinase 3 Induces a Bivalent Halogen/Chalcogen Bond.

Lange A, Günther M, Büttner FM, Zimmermann MO, Heidrich J, Hennig S, Zahn S, Schall C, Sievers-Engler A, Ansideri F, Koch P, Laemmerhofer M, Stehle T, Laufer SA, Boeckler FM. Lange A, et al. J Am Chem Soc. 2015 Nov 25;137(46):14640-52. doi: 10.1021/jacs.5b07090. Epub 2015 Nov 12. J Am Chem Soc. 2015. PMID: 26505827

5

Fluorescence polarization-based assays for detecting compounds binding to inactive c-Jun N-terminal kinase 3 and p38α mitogen-activated protein kinase.

Ansideri F, Lange A, El-Gokha A, Boeckler FM, Koch P. Ansideri F, et al. Among authors: lange a. Anal Biochem. 2016 Jun 15;503:28-40. doi: 10.1016/j.ab.2016.02.018. Epub 2016 Mar 5. Anal Biochem. 2016. PMID: 26954235

6

Scaffold Effects on Halogen Bonding Strength.

Lange A, Heidrich J, Zimmermann MO, Exner TE, Boeckler FM. Lange A, et al. J Chem Inf Model. 2019 Feb 25;59(2):885-894. doi: 10.1021/acs.jcim.8b00621. Epub 2019 Jan 28. J Chem Inf Model. 2019. PMID: 30629432

7

Addressing Methionine in Molecular Design through Directed Sulfur-Halogen Bonds.

Wilcken R, Zimmermann MO, Lange A, Zahn S, Kirchner B, Boeckler FM. Wilcken R, et al. Among authors: lange a. J Chem Theory Comput. 2011 Jul 12;7(7):2307-15. doi: 10.1021/ct200245e. Epub 2011 Jun 17. J Chem Theory Comput. 2011. PMID: 26606498

8

Using halogen bonds to address the protein backbone: a systematic evaluation.

Wilcken R, Zimmermann MO, Lange A, Zahn S, Boeckler FM. Wilcken R, et al. Among authors: lange a. J Comput Aided Mol Des. 2012 Aug;26(8):935-45. doi: 10.1007/s10822-012-9592-8. Epub 2012 Aug 4. J Comput Aided Mol Des. 2012. PMID: 22865255

9

Principles and applications of halogen bonding in medicinal chemistry and chemical biology.

Wilcken R, Zimmermann MO, Lange A, Joerger AC, Boeckler FM. Wilcken R, et al. Among authors: lange a. J Med Chem. 2013 Feb 28;56(4):1363-88. doi: 10.1021/jm3012068. Epub 2013 Jan 3. J Med Chem. 2013. PMID: 23145854 Free article.

10

Targeting histidine side chains in molecular design through nitrogen-halogen bonds.

Lange A, Zimmermann MO, Wilcken R, Zahn S, Boeckler FM. Lange A, et al. J Chem Inf Model. 2013 Dec 23;53(12):3178-89. doi: 10.1021/ci4004305. Epub 2013 Nov 25. J Chem Inf Model. 2013. PMID: 24127844

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