Lange A - Search Results

1

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

2

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.

3

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

4

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

5

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

6

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

7

Using Surface Scans for the Evaluation of Halogen Bonds toward the Side Chains of Aspartate, Asparagine, Glutamate, and Glutamine.

Zimmermann MO, Lange A, Zahn S, Exner TE, Boeckler FM. Zimmermann MO, et al. Among authors: lange a. J Chem Inf Model. 2016 Jul 25;56(7):1373-83. doi: 10.1021/acs.jcim.6b00075. Epub 2016 Jul 15. J Chem Inf Model. 2016. PMID: 27380316

8

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

9

Machine learning estimates of natural product conformational energies.

Rupp M, Bauer MR, Wilcken R, Lange A, Reutlinger M, Boeckler FM, Schneider G. Rupp M, et al. Among authors: lange a. PLoS Comput Biol. 2014 Jan;10(1):e1003400. doi: 10.1371/journal.pcbi.1003400. Epub 2014 Jan 16. PLoS Comput Biol. 2014. PMID: 24453952 Free PMC article.

10

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

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