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"Social" network of isomers based on bond count distance: algorithms.
Kouri TM, Awale M, Slyby JK, Reymond JL, Mehta DP. Kouri TM, et al. J Chem Inf Model. 2014 Jan 27;54(1):57-68. doi: 10.1021/ci4005173. Epub 2014 Jan 13. J Chem Inf Model. 2014. PMID: 24350890
Visualization and virtual screening of the chemical universe database GDB-17.
Ruddigkeit L, Blum LC, Reymond JL. Ruddigkeit L, et al. J Chem Inf Model. 2013 Jan 28;53(1):56-65. doi: 10.1021/ci300535x. Epub 2013 Jan 9. J Chem Inf Model. 2013. PMID: 23259841
A searchable map of PubChem.
van Deursen R, Blum LC, Reymond JL. van Deursen R, et al. J Chem Inf Model. 2010 Nov 22;50(11):1924-34. doi: 10.1021/ci100237q. Epub 2010 Oct 14. J Chem Inf Model. 2010. PMID: 20945869
What we have learned from crystal structures of proteins to receptor function.
Reymond JL, van Deursen R, Bertrand D. Reymond JL, et al. Biochem Pharmacol. 2011 Dec 1;82(11):1521-7. doi: 10.1016/j.bcp.2011.07.061. Epub 2011 Jul 20. Biochem Pharmacol. 2011. PMID: 21787757
X-ray structure of a lectin-bound DNA duplex containing an unnatural phenanthrenyl pair.
Roethlisberger P, Istrate A, Marcaida Lopez MJ, Visini R, Stocker A, Reymond JL, Leumann CJ. Roethlisberger P, et al. Chem Commun (Camb). 2016 Apr 4;52(26):4749-52. doi: 10.1039/c6cc00374e. Epub 2016 Feb 22. Chem Commun (Camb). 2016. PMID: 26898721
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