Scientific Publications

Quantifying structure and performance diversity for sets of small molecules comprising small-molecule screening collections.Clemons, PA, Wilson JA, Dančík V., Muller S., Carrinski HA, Wagner BK, Koehler AN, and Schreiber SL Proceedings of the National Academy of Sciences of the United States of America, 2011/04/26, Volume 108, Issue 17, p.6817-22, (2011) Read More / View Supplemental Materials

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Abstract

Route to three-dimensional fragments using diversity-oriented synthesis.Hung, AW, Ramek A., Wang Y., Kaya T., Wilson JA, Clemons PA, and Young DW Proceedings of the National Academy of Sciences of the United States of America, 2011/04/26, Volume 108, Issue 17, p.6799-804, (2011) Read More / View Supplemental Materials

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Abstract

Expanding stereochemical and skeletal diversity using petasis reactions and 1,3-dipolar cycloadditions.Muncipinto, G., Kaya T., Wilson JA, Kumagai N., Clemons PA, and Schreiber SL Organic letters, 2010/11/19, Volume 12, Issue 22, p.5230-3, (2010) Read More / View Supplemental Materials

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Abstract

Small molecules of different origins have distinct distributions of structural complexity that correlate with protein-binding profiles.Clemons, PA, Bodycombe NE, Carrinski HA, Wilson JA, Shamji AF, Wagner BK, Koehler AN, and Schreiber SL Proceedings of the National Academy of Sciences of the United States of America, 2010/11/02, Volume 107, Issue 44, p.18787-92, (2010) Read More / View Supplemental Materials

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Abstract

Alpha shapes applied to molecular shape characterization exhibit novel properties compared to established shape descriptors.Wilson, JA, Bender A., Kaya T., and Clemons PA Journal of chemical information and modeling, 2009/10/01, Volume 49, Issue 10, p.2231-41, (2009) Read More / View Supplemental Materials

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Abstract