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Inhibitors of human tyrosyl-DNA phospodiesterase (hTdp1) developed by virtual screening using ligand-based pharmacophores.
Weidlich IE, Dexheimer T, Marchand C, Antony S, Pommier Y, Nicklaus MC. Weidlich IE, et al. Bioorg Med Chem. 2010 Jan 1;18(1):182-9. doi: 10.1016/j.bmc.2009.11.008. Epub 2009 Nov 11. Bioorg Med Chem. 2010. Corrected and republished in: Bioorg Med Chem. 2010 Mar 15;18(6):2347-2355. doi: 10.1016/j.bmc.2010.02.009 PMID: 19963390 Free PMC article. Corrected and republished.
Identification of Shc Src homology 2 domain-binding peptoid-peptide hybrids.
Choi WJ, Kim SE, Stephen AG, Weidlich I, Giubellino A, Liu F, Worthy KM, Bindu L, Fivash MJ, Nicklaus MC, Bottaro DP, Fisher RJ, Burke TR Jr. Choi WJ, et al. Among authors: weidlich i. J Med Chem. 2009 Mar 26;52(6):1612-8. doi: 10.1021/jm800789h. J Med Chem. 2009. PMID: 19226165 Free PMC article.
PDB ligand conformational energies calculated quantum-mechanically.
Sitzmann M, Weidlich IE, Filippov IV, Liao C, Peach ML, Ihlenfeldt WD, Karki RG, Borodina YV, Cachau RE, Nicklaus MC. Sitzmann M, et al. Among authors: weidlich ie. J Chem Inf Model. 2012 Mar 26;52(3):739-56. doi: 10.1021/ci200595n. Epub 2012 Feb 21. J Chem Inf Model. 2012. PMID: 22303903 Free PMC article.
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