- David van der Spoel Friday, 06 December 2019
Virtual Chemistry
Monday, 28 November 2011
We have launched a new webserver at where one can download validated  GROMACS toplogy and coordinate files for 145 molecular liquids. Files are available for the GAFF and OPLS/AA force fields. We also provide experimental data (fully rerefenced) of eight physical properties. The work is described in two papers, in J. Chem. Theor. Comput. and Bioinformatics . Update: The JCTC paper is now part of the free sample issue that can be found here .
Debate in Tentakel
Tuesday, 08 November 2011
David wrote an article for Tentakel, one of the web-journals of the Swedish research council, about research financing. You can find it here (in Swedish).
PNAS Paper About Ions in Water
Tuesday, 12 April 2011
A paper about the surface preference of ions in water droplets by Calle, Jochen, Paul & David has now been published in Proc. Natl. Acad. Sci. U.S.A. Papers about 216 water molecules are always rewarding but especially when published in nice journals.
The Blind Docking Saga Continues
Monday, 07 March 2011
Csaba Hetényi and David van der Spoel just had a new paper in the Blind Docking sequel accepted for publication in Protein Science . The methodology has proven to be a powerful, and hence popular means of finding binding sites on protein surfaces. The first two papers appeared in Protein Science (2002) and FEBS letters (2006). Both are featured in the cover gallery.
2011 - Year of Chemistry
Tuesday, 01 March 2011

The year 2011 has been announced by the united nations as the international year of chemistry. In the group we will contribute to this with publications in many different chemistry journals.The first publication in ACS Nano is out already, and some others have been submitted.We will update this post as the year goes along!


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(c) 2006 David van der Spoel