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Computational prediction of immune cell cytotoxicity.
Schrey AK, Nickel-Seeber J, Drwal MN, Zwicker P, Schultze N, Haertel B, Preissner R. Schrey AK, et al. Among authors: drwal mn. Food Chem Toxicol. 2017 Sep;107(Pt A):150-166. doi: 10.1016/j.fct.2017.05.041. Epub 2017 May 27. Food Chem Toxicol. 2017. PMID: 28558974
WITHDRAWN--a resource for withdrawn and discontinued drugs.
Siramshetty VB, Nickel J, Omieczynski C, Gohlke BO, Drwal MN, Preissner R. Siramshetty VB, et al. Among authors: drwal mn. Nucleic Acids Res. 2016 Jan 4;44(D1):D1080-6. doi: 10.1093/nar/gkv1192. Epub 2015 Nov 8. Nucleic Acids Res. 2016. PMID: 26553801 Free PMC article.
Binding mode information improves fragment docking.
Jacquemard C, Drwal MN, Desaphy J, Kellenberger E. Jacquemard C, et al. Among authors: drwal mn. J Cheminform. 2019 Mar 22;11(1):24. doi: 10.1186/s13321-019-0346-7. J Cheminform. 2019. PMID: 30903304 Free PMC article.
Structural Insights on Fragment Binding Mode Conservation.
Drwal MN, Bret G, Perez C, Jacquemard C, Desaphy J, Kellenberger E. Drwal MN, et al. J Med Chem. 2018 Jul 26;61(14):5963-5973. doi: 10.1021/acs.jmedchem.8b00256. Epub 2018 Jul 3. J Med Chem. 2018. PMID: 29906118
14 results