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Monday, 28 November 2011 |
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We have launched a new webserver at http://virtualchemistry.org 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 . |
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Tuesday, 08 November 2011 |
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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). |
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PNAS Paper About Ions in Water |
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Tuesday, 12 April 2011 |
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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. |
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The Blind Docking Saga Continues |
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Monday, 07 March 2011 |
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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. |
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Tuesday, 01 March 2011 |
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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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