NDLI: Elucidating membrane protein function through long-timescale molecular dynamics simulation

Content Provider	IEEE Xplore Digital Library
Author	Dror, R.O. Jensen, M.O. Shaw, D.E.
Copyright Year	2009
Description	Author affiliation: Research, 120 W. 45th St., 39th Floor, New York, NY 10036 USA (Dror, R.O.; Jensen, M.O.; Shaw, D.E.)
Abstract	Recent advances in algorithms, software, and hardware for molecular dynamics (MD) simulations have brought previously inaccessible simulation timescales within reach, allowing the use of MD simulation to address a substantially broader set of questions regarding protein function. MD has proved particularly useful in elucidating the functional mechanisms of membrane proteins, whose dynamics are especially difficult to characterize experimentally. Here, we illustrate the utility of state-of-the-art high-performance MD simulations in the study of membrane proteins, using as examples a G-protein-coupled receptor, an aquaporin, and an antiporter. In each case, we used MD either to deduce an atomic-level mechanism for protein function or to reconcile apparent discrepancies among recent experimental observations.
Starting Page	2340
Ending Page	2342
File Size	325423
Page Count	3
File Format	PDF
ISBN	9781424432967
ISSN	1557170X
DOI	10.1109/IEMBS.2009.5335057
Language	English
Publisher	Institute of Electrical and Electronics Engineers, Inc. (IEEE)
Publisher Date	2009-09-03
Publisher Place	USA
Access Restriction	Subscribed
Rights Holder	Institute of Electrical and Electronics Engineers, Inc. (IEEE)
Subject Keyword	Biomembranes Proteins Hardware Biological system modeling Bridges Switches Software algorithms USA Councils Pharmaceuticals Linux
Content Type	Text
Resource Type	Article
Subject	Signal Processing Biomedical Engineering Health Informatics Computer Vision and Pattern Recognition

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3	National Digital Library of India Office, Indian Institute of Technology Kharagpur	The administrative and infrastructural headquarters of the project	Dr. B. Sutradhar bsutra@ndl.gov.in
4	Project PI / Joint PI	Principal Investigator and Joint Principal Investigators of the project	Dr. B. Sutradhar bsutra@ndl.gov.in Prof. Saswat Chakrabarti will be added soon
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