Mobile modeling in the molecular sciences
Grulke, Christopher M. National Exposure Research Laboratory, U.S. Environmental Protection Agency, Research Triangle Park, North Carolina.
Clark, Alex M. Molecular Materials Informatics, Montreal, Quebec, Canada.
Williams, Antony J. Royal Society of Chemistry, Wake Forest, North Carolina.
Ekins, Sean Collaborations in Chemistry, Fuquay Varina, North Carolina.
Morris, Craig Redtree Development Inc., Fernie, British Columbia, Canada.
Goldsmith, Michael-Rock National Exposure Research Laboratory, U.S. Environmental Protection Agency, Research Triangle Park, North Carolina.
- Mobile database access
- Molecular visualization
- Mobile molecular collaboration platform
- Mobile systems modeling
- Server-side and cloud applications
- Links to Primary Literature
- Additional Readings
The art of modeling in the molecular sciences is highly dependent on the available computational technology, underlying data, and ability to collaborate. With the ever-increasing market share of mobile devices, tablets will likely overtake laptops as the computer of choice in the coming years. As the world population shifts to mobile architectures for their primary computing devices, modeling tools need to evolve to provide the required functionality in the portable and interactive tactile environment afforded by these devices. Mobile modeling in the context of molecular sciences is focused on using smartphone or tablet devices to perform a variety of modeling tasks, including but not limited to molecular modeling, geometry optimization, chemical-structure-based calculations, structure-activity relationship (SAR) generation, and database lookups.
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