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Mobile modeling in the molecular sciences
Citation:
Grulke, Chris, A. Clark, A. Williams, S. Ekins, C. Morris, AND Rocky Goldsmith. Mobile modeling in the molecular sciences. Chapter 1, McGraw-Hill Science & Technology. McGraw-Hill Companies, New York, NY, , 229-233, (2014).
Impact/Purpose:
The National Exposure Research Laboratory′s (NERL′s) Human Exposure and Atmospheric Sciences Division (HEASD) conducts research in support of EPA′s mission to protect human health and the environment. HEASD′s research program supports Goal 1 (Clean Air) and Goal 4 (Healthy People) of EPA′s strategic plan. More specifically, our division conducts research to characterize the movement of pollutants from the source to contact with humans. Our multidisciplinary research program produces Methods, Measurements, and Models to identify relationships between and characterize processes that link source emissions, environmental concentrations, human exposures, and target-tissue dose. The impact of these tools is improved regulatory programs and policies for EPA.
Description:
The art of modeling in the molecular sciences is highly dependent on both the available computational technology, underlying data, and ability to collaborate. With the ever increasing market share of mobile devices, it is assumed by many that tablets will overtake laptops as the computer of choice in the coming years. As the world shifts to mobile architectures as their primary computing devices, modeling tools need to evolve to provide the required functionality in the slim, 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 (e.g., iPhones, Android phones, BlackBerry phones, Windows phones, iPads, Android tablets, Microsoft Surface, etc.) to perform a variety of modeling tasks, including but not limited to molecular modeling, geometry optimization, chemical structure based calculations, SAR generation, and database lookups.
URLs/Downloads:
MOBILEMODELING_GRULKE_ET_AL_052813.PDF (PDF, NA pp, 3726.383 KB, about PDF)McGraw-Hill
