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Scaffold Effects on Halogen Bonding Strength.
Lange A, Heidrich J, Zimmermann MO, Exner TE, Boeckler FM. Lange A, et al. Among authors: boeckler fm. 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
Halogen-enriched fragment libraries as leads for drug rescue of mutant p53.
Wilcken R, Liu X, Zimmermann MO, Rutherford TJ, Fersht AR, Joerger AC, Boeckler FM. Wilcken R, et al. Among authors: boeckler fm. J Am Chem Soc. 2012 Apr 18;134(15):6810-8. doi: 10.1021/ja301056a. Epub 2012 Apr 5. J Am Chem Soc. 2012. PMID: 22439615 Free PMC article.
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: boeckler fm. 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.
69 results