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PubChem3D: Conformer generation.
Bolton EE, Kim S, Bryant SH. Bolton EE, et al. J Cheminform. 2011 Jan 27;3(1):4. doi: 10.1186/1758-2946-3-4. J Cheminform. 2011. PMID: 21272340 Free PMC article.
PubChem3D: Diversity of shape.
Bolton EE, Kim S, Bryant SH. Bolton EE, et al. J Cheminform. 2011 Mar 21;3:9. doi: 10.1186/1758-2946-3-9. J Cheminform. 2011. PMID: 21418625 Free PMC article.
PubChem3D: Similar conformers.
Bolton EE, Kim S, Bryant SH. Bolton EE, et al. J Cheminform. 2011 May 9;3:13. doi: 10.1186/1758-2946-3-13. J Cheminform. 2011. PMID: 21554721 Free PMC article.
PubChem3D: Biologically relevant 3-D similarity.
Kim S, Bolton EE, Bryant SH. Kim S, et al. Among authors: bolton ee. J Cheminform. 2011 Jul 22;3(1):26. doi: 10.1186/1758-2946-3-26. J Cheminform. 2011. PMID: 21781288 Free PMC article.
PubChem3D: a new resource for scientists.
Bolton EE, Chen J, Kim S, Han L, He S, Shi W, Simonyan V, Sun Y, Thiessen PA, Wang J, Yu B, Zhang J, Bryant SH. Bolton EE, et al. J Cheminform. 2011 Sep 20;3(1):32. doi: 10.1186/1758-2946-3-32. J Cheminform. 2011. PMID: 21933373 Free PMC article.
PubChem's BioAssay Database.
Wang Y, Xiao J, Suzek TO, Zhang J, Wang J, Zhou Z, Han L, Karapetyan K, Dracheva S, Shoemaker BA, Bolton E, Gindulyte A, Bryant SH. Wang Y, et al. Nucleic Acids Res. 2012 Jan;40(Database issue):D400-12. doi: 10.1093/nar/gkr1132. Epub 2011 Dec 2. Nucleic Acids Res. 2012. PMID: 22140110 Free PMC article.
PubChem3D: conformer ensemble accuracy.
Kim S, Bolton EE, Bryant SH. Kim S, et al. Among authors: bolton ee. J Cheminform. 2013 Jan 7;5(1):1. doi: 10.1186/1758-2946-5-1. J Cheminform. 2013. PMID: 23289532 Free PMC article.
85 results