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Cryo-EM structure of pleconaril-resistant rhinovirus-B5 complexed to the antiviral OBR-5-340 reveals unexpected binding site.
Wald J, Pasin M, Richter M, Walther C, Mathai N, Kirchmair J, Makarov VA, Goessweiner-Mohr N, Marlovits TC, Zanella I, Real-Hohn A, Verdaguer N, Blaas D, Schmidtke M. Wald J, et al. Among authors: kirchmair j. Proc Natl Acad Sci U S A. 2019 Sep 17;116(38):19109-19115. doi: 10.1073/pnas.1904732116. Epub 2019 Aug 28. Proc Natl Acad Sci U S A. 2019. PMID: 31462495 Free PMC article.
Applications of integrated data mining methods to exploring natural product space for acetylcholinesterase inhibitors.
Schuster D, Kern L, Hristozov DP, Terfloth L, Bienfait B, Laggner C, Kirchmair J, Grienke U, Wolber G, Langer T, Stuppner H, Gasteiger J, Rollinger JM. Schuster D, et al. Among authors: kirchmair j. Comb Chem High Throughput Screen. 2010 Jan;13(1):54-66. doi: 10.2174/138620710790218212. Comb Chem High Throughput Screen. 2010. PMID: 20214575 Free PMC article.
Azepine-Indole Alkaloids From Psychotria nemorosa Modulate 5-HT2A Receptors and Prevent in vivo Protein Toxicity in Transgenic Caenorhabditis elegans.
Kirchweger B, Klein-Junior LC, Pretsch D, Chen Y, Cretton S, Gasper AL, Heyden YV, Christen P, Kirchmair J, Henriques AT, Rollinger JM. Kirchweger B, et al. Among authors: kirchmair j. Front Neurosci. 2022 Mar 14;16:826289. doi: 10.3389/fnins.2022.826289. eCollection 2022. Front Neurosci. 2022. PMID: 35360162 Free PMC article.
Validation strategies for target prediction methods.
Mathai N, Chen Y, Kirchmair J. Mathai N, et al. Among authors: kirchmair j. Brief Bioinform. 2020 May 21;21(3):791-802. doi: 10.1093/bib/bbz026. Brief Bioinform. 2020. PMID: 31220208 Free PMC article. Review.
The challenges involved in modeling toxicity data in silico: a review.
Gleeson MP, Modi S, Bender A, Robinson RL, Kirchmair J, Promkatkaew M, Hannongbua S, Glen RC. Gleeson MP, et al. Among authors: kirchmair j. Curr Pharm Des. 2012;18(9):1266-91. doi: 10.2174/138161212799436359. Curr Pharm Des. 2012. PMID: 22316153 Review.
128 results