Molecular Simulation Grid: A User-Friendly Portal for Computational Chemistry
Author Information
Author(s): Krüger Jens, Birkenheuer Georg, Blunk Dirk, Breuers Sebastian, Brinkmann André, Fels Gregor, Gesing Sandra, Grunzke Richard, Kohlbacher Oliver, Kruber Nico, Lang Ulrich, Packschies Lars, Müller-Pfefferkorn Ralph, Herres-Pawlis Sonja, Schäfer Patrick, Schmalz Hans-Günther, Steinke Thomas, Warzecha Klaus-Dieter, Wewior Martin
Primary Institution: University of Paderborn
Conclusion
The MoSGrid portal simplifies access to molecular simulation tools and workflows for users without requiring technical expertise.
Supporting Evidence
- The MoSGrid project is funded by BMBF and aims to provide grid services for molecular simulations.
- The portal allows users to access various simulation codes without needing to install software.
- Users can store and share workflows in recipe repositories for easy access.
Takeaway
MoSGrid is like a website that helps scientists do complex chemistry calculations easily, without needing to know how the technology works.
Methodology
The project offers grid services for molecular simulations and integrates metadata annotation for data mining.
Digital Object Identifier (DOI)
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