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Atomdroid: A Computational Chemistry Tool for Mobile Platforms
- Source :
- Journal of Chemical Information and Modeling. 52:1072-1078
- Publication Year :
- 2012
- Publisher :
- American Chemical Society (ACS), 2012.
-
Abstract
- We present the implementation of a new molecular mechanics program designed for use in mobile platforms, the first specifically built for these devices. The software is designed to run on Android operating systems and is compatible with several modern tablet-PCs and smartphones available in the market. It includes molecular viewer/builder capabilities with integrated routines for geometry optimizations and Monte Carlo simulations. These functionalities allow it to work as a stand-alone tool. We discuss some particular development aspects, as well as the overall feasibility of using computational chemistry software packages in mobile platforms. Benchmark calculations show that through efficient implementation techniques even hand-held devices can be used to simulate midsized systems using force fields.
- Subjects :
- Computer science
Neurokinin A
General Chemical Engineering
Monte Carlo method
Molecular Dynamics Simulation
Library and Information Sciences
010402 general chemistry
01 natural sciences
03 medical and health sciences
Software
Development aspects
Software Design
Computational chemistry
Caffeine
Android (operating system)
030304 developmental biology
0303 health sciences
business.industry
General Chemistry
Bridged Bicyclo Compounds, Heterocyclic
Mobile Applications
0104 chemical sciences
Computer Science Applications
Embedded system
business
Monte Carlo Method
Subjects
Details
- ISSN :
- 1549960X and 15499596
- Volume :
- 52
- Database :
- OpenAIRE
- Journal :
- Journal of Chemical Information and Modeling
- Accession number :
- edsair.doi.dedup.....5fb3fde9e360f39e42114c7a0fff3ded
- Full Text :
- https://doi.org/10.1021/ci2004219