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virtualchemistry.org

Here refers to molecules including both covalently bound compounds and ionic systems in a computer rather than in a laboratory. We try to predict properties of compounds using theoretical models. That are calculated or simulated in a computer. The website features:. Results from classical molecular dynamics simulations of liquids with experimental data to compare results to. Input files in order to make sure that results based on these files are consistent with the force field used.

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virtualchemistry.org | vanderspoel.org Reviews
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Here refers to molecules including both covalently bound compounds and ionic systems in a computer rather than in a laboratory. We try to predict properties of compounds using theoretical models. That are calculated or simulated in a computer. The website features:. Results from classical molecular dynamics simulations of liquids with experimental data to compare results to. Input files in order to make sure that results based on these files are consistent with the force field used.
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1 news
2 compound database
3 properties studied
4 force field packages
5 correlation tool
6 links
7 people
8 funding
9 virtual chemistry
10 gromacs
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virtualchemistry.org | vanderspoel.org Reviews

https://vanderspoel.org

Here refers to molecules including both covalently bound compounds and ionic systems in a computer rather than in a laboratory. We try to predict properties of compounds using theoretical models. That are calculated or simulated in a computer. The website features:. Results from classical molecular dynamics simulations of liquids with experimental data to compare results to. Input files in order to make sure that results based on these files are consistent with the force field used.

LINKS TO THIS WEBSITE

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Folding.bmc.uu.se - David van der Spoel - Old news

http://folding.bmc.uu.se/content/category/1/1/46

Folding.bmc.uu.se - David van der Spoel. Thursday, 25 August 2016. Publications by other group members. Tuesday, 08 April 2014. Saturday, 08 February 2014. Sunday, 05 May 2013. Monday, 15 October 2012. Monday, 28 May 2012. Friday, 11 May 2012. Friday, 23 March 2012. Monday, 28 November 2011. Tuesday, 08 November 2011. Tuesday, 12 April 2011. PNAS Paper About Ions in Water. Monday, 07 March 2011. The Blind Docking Saga Continues. Tuesday, 01 March 2011. 2011 - Year of Chemistry. Saturday, 08 January 2011.

folding.bmc.uu.se folding.bmc.uu.se

Folding.bmc.uu.se - David van der Spoel - Research

http://folding.bmc.uu.se/content/view/16/30

Folding.bmc.uu.se - David van der Spoel. Thursday, 25 August 2016. Publications by other group members. Monday, 16 January 2006. The main research focus of the lab is on computational chemistry, in particular protein folding, studies of radiation damage and force field testing and development. Force field development and new simulation methodology. Virus biology and infection in atomic detail. Software development for GROMACS. Available under the GNU public license. C) 2006 David van der Spoel.

folding.bmc.uu.se folding.bmc.uu.se

Folding.bmc.uu.se - David van der Spoel - News

http://folding.bmc.uu.se/content/blogsection/1/40

Folding.bmc.uu.se - David van der Spoel. Thursday, 25 August 2016. Publications by other group members. Tuesday, 08 April 2014. Two of our recent papers received som extra PR. The review about Thiamin by Sergio Manzetti. Is featured on Global Medical Discovery. While the most recent paper about atmospheric chemistry by Jochen Hub. Is featured on the back cover of the Chemical Science. Saturday, 08 February 2014. Sunday, 05 May 2013. Monday, 15 October 2012. Monday, 28 May 2012. Results 1 - 5 of 38.

folding.bmc.uu.se folding.bmc.uu.se

Folding.bmc.uu.se - David van der Spoel - News

http://folding.bmc.uu.se/content/blogsection/1/40/5/10

Folding.bmc.uu.se - David van der Spoel. Thursday, 25 August 2016. Publications by other group members. 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. 2011 - Year of Chemistry. Tuesday, 01 March 2011. The year 2011 has been announced by the united nations as the international year of chemistry. Saturday, 08 January 2011. Proteins, Lipids and Water in the Gas Phase.

folding.bmc.uu.se folding.bmc.uu.se

Folding.bmc.uu.se - David van der Spoel - News

http://folding.bmc.uu.se/content/blogsection/1/40/5/5

Folding.bmc.uu.se - David van der Spoel. Thursday, 25 August 2016. Publications by other group members. Friday, 11 May 2012. The first paper by Daniel Larsson about virus structure and dynamics has now been published in PLoS Computational Biology. The study shows how the satellite tobacco necrosis virus opens up to let in water once the Calcium ions are removed, something that is though to happen after infection. More virus work is on its way! The paper is listed on the university research news pages.

folding.bmc.uu.se folding.bmc.uu.se

Folding.bmc.uu.se - David van der Spoel - People

http://folding.bmc.uu.se/content/view/13/29

Folding.bmc.uu.se - David van der Spoel. Thursday, 25 August 2016. Publications by other group members. Monday, 16 January 2006. PI: David van der Spoel, Ph. D. The following people are working in the Protein Folding laboratory. Nina Fischer, Postdoc. Mohammad Ghahremanpour, Ph.D. student. Anders Gärdenäs, Programmer. Elias Silva dos Santos, Postdoc. Marie-Madeleine Walz, Postdoc. Csaba Hetenyi, Ph. D. Visiting scientist from Hungary. Ph D 2010) Protein Folding and DNA Origami. Jonas Ditz, project student.

folding.bmc.uu.se folding.bmc.uu.se

Folding.bmc.uu.se - David van der Spoel - News

http://folding.bmc.uu.se/content/blogsection/1/40/5/15

Folding.bmc.uu.se - David van der Spoel. Thursday, 25 August 2016. Publications by other group members. Thursday, 14 January 2010. From the first of January 2010 the group has moved from the molecular biophysics. Programme to the computational- and systems biology. Monday, 02 November 2009. And now for OmpA (c ommunication by Rosmarie Friemann et al. in J. Amer. Chem. Soc. Wednesday, 28 May 2008. Melting Ice with a Laser. Saturday, 05 January 2008. Http:/ www.nyteknik.se/. Http:/ www.uu.se/. For replica ...

folding.bmc.uu.se folding.bmc.uu.se

Folding.bmc.uu.se - David van der Spoel - Web Links

http://folding.bmc.uu.se/component/option,com_weblinks/catid,15/Itemid,43

Folding.bmc.uu.se - David van der Spoel. Thursday, 25 August 2016. Publications by other group members. Here we present a list of useful links for protein folding resources. The Pande lab (Folding @ Home). C) 2006 David van der Spoel.

folding.bmc.uu.se folding.bmc.uu.se

Folding.bmc.uu.se - David van der Spoel - Short Biography

http://folding.bmc.uu.se/content/view/17/33

Folding.bmc.uu.se - David van der Spoel. Thursday, 25 August 2016. Publications by other group members. Monday, 16 January 2006. David van der Spoel. 1988: M. Sc. in Phyics, University of Groningen, The Netherlands. 1996: Ph. D. in Chemistry with Prof. Berendsen. University of Groningen, The Netherlands. 1996/1997: PostDoc, university of Groningen in the same group. 1997: Appointment at the Department of Biochemistry of Uppsala University, Sweden. C) 2006 David van der Spoel.

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virtualchemistry.org

Here refers to molecules including both covalently bound compounds and ionic systems in a computer rather than in a laboratory. We try to predict properties of compounds using theoretical models. That are calculated or simulated in a computer. The website features:. Results from classical molecular dynamics simulations of liquids with experimental data to compare results to. Input files in order to make sure that results based on these files are consistent with the force field used.

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