Posts Tagged ‘Cheminformatics’

Braiding a molecular knot with eight crossings.

Friday, January 20th, 2017
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This is one of those posts of a molecule whose very structure is interesting enough to merit a picture and a 3D model. The study[1] reports a molecular knot with the remarkable number of eight crossings.

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References

  1. J.J. Danon, A. Krüger, D.A. Leigh, J. Lemonnier, A.J. Stephens, I.J. Vitorica-Yrezabal, and S.L. Woltering, "Braiding a molecular knot with eight crossings", Science, vol. 355, pp. 159-162, 2017. http://dx.doi.org/10.1126/science.aal1619

The 2016 Bradley-Mason prize for open chemistry.

Tuesday, October 4th, 2016
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Peter Murray-Rust and I are delighted to announce that the 2016 award of the Bradley-Mason prize for open chemistry goes to Jan Szopinski (UG) and Clyde Fare (PG).

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Global initiatives in research data management and discovery: searching metadata.

Monday, March 7th, 2016
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The upcoming ACS national meeting in San Diego has a CINF (chemical information division) session entitled "Global initiatives in research data management and discovery". I have highlighted here just one slide from my contribution to this session, which addresses the discovery aspect of the session.

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