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11 results
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Anisotropy in Polyurethane Pre-Insulated Pipes.
Doyle L, Weidlich I, Illguth M. Doyle L, et al. Among authors: weidlich i. Polymers (Basel). 2019 Dec 12;11(12):2074. doi: 10.3390/polym11122074. Polymers (Basel). 2019. PMID: 31842365 Free PMC article.
Using the gini coefficient to measure the chemical diversity of small-molecule libraries.
Weidlich IE, Filippov IV. Weidlich IE, et al. J Comput Chem. 2016 Aug 15;37(22):2091-7. doi: 10.1002/jcc.24423. Epub 2016 Jun 29. J Comput Chem. 2016. PMID: 27353971
Development and implementation of (Q)SAR modeling within the CHARMMing web-user interface.
Weidlich IE, Pevzner Y, Miller BT, Filippov IV, Woodcock HL, Brooks BR. Weidlich IE, et al. J Comput Chem. 2015 Jan 5;36(1):62-7. doi: 10.1002/jcc.23765. Epub 2014 Nov 3. J Comput Chem. 2015. PMID: 25362883 Free PMC article.
Inhibitors for the hepatitis C virus RNA polymerase explored by SAR with advanced machine learning methods.
Weidlich IE, Filippov IV, Brown J, Kaushik-Basu N, Krishnan R, Nicklaus MC, Thorpe IF. Weidlich IE, et al. Bioorg Med Chem. 2013 Jun 1;21(11):3127-37. doi: 10.1016/j.bmc.2013.03.032. Epub 2013 Mar 29. Bioorg Med Chem. 2013. PMID: 23608107 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.
Corrigendum to “Inhibitors of human tyrosyl-DNA phospodiesterase (hTdp1) developed by virtual screening using ligand-based pharmacophores” [Bioorg. Med. Chem. 18 (2010) 182–189].
Weidlich IE, Dexheimer T, Marchand C, Antony S, Pommier Y, Nicklaus MC. Weidlich IE, et al. Bioorg Med Chem. 2010 Mar 15;18(6):2346. doi: 10.1016/j.bmc.2010.02.008. Bioorg Med Chem. 2010. PMID: 30035524 No abstract available.
Virtual screening using ligand-based pharmacophores for inhibitors of human tyrosyl-DNA phospodiesterase (hTdp1).
Weidlich IE, Dexheimer TS, Marchand C, Antony S, Pommier Y, Nicklaus MC. Weidlich IE, et al. Bioorg Med Chem. 2010 Mar 15;18(6):2347-2355. doi: 10.1016/j.bmc.2010.02.009. Epub 2010 Mar 2. Bioorg Med Chem. 2010. PMID: 30025429
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. PMID: 19963390 Free PMC article. Corrected and republished.
4-Pregnen-21-ol-3,20-dione-21-(4-bromobenzenesulfonate) (NSC 88915) and related novel steroid derivatives as tyrosyl-DNA phosphodiesterase (Tdp1) inhibitors.
Dexheimer TS, Gediya LK, Stephen AG, Weidlich I, Antony S, Marchand C, Interthal H, Nicklaus M, Fisher RJ, Njar VC, Pommier Y. Dexheimer TS, et al. Among authors: weidlich i. J Med Chem. 2009 Nov 26;52(22):7122-31. doi: 10.1021/jm901061s. J Med Chem. 2009. PMID: 19883083 Free PMC article.
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.
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