In the Xu research lab, we pursue a broad range of cutting-edge and interdisciplinary computational research projects at the interface of chemistry, biology, physics and pharmacology. We are particularly interested in driving translational research and advancing novel methods in the emerging areas such as molecular targeted therapeutics and renewable energy through close collaboration with experimentalists. Powered by massive petaflops and GPU computing technologies, large-scale computer simulation is at the forefront of chemical and biomedical discovery.
Members in the Xu research group have access to both state-of-the-art computing facility within the lab and the world top 500 supercomputers located at the National Science Foundation Teragrid and the Department of Energy National Labs (Idaho National Lab and Oak Ridge National Lab). Students will obtain extensive and invaluable research experience in computational chemistry and high-performance computing.
Please contact us about the exciting collaboration and research opportunities in our lab.E. Coli Nucleosidase, by Kate JetteE. Coli Nucleosidase, by Greg Maloney |
posted May 10, 2012, 5:15 PM by Dong Xu
To provide his opinion on the graduate applicants for fall 2012.
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posted Apr 30, 2012, 10:29 AM by Dong Xu
He will be presenting a new computer aided drug discovery tool in the "Progress for Disease Therapeutics" symposium at the 67th ACS Northwest Meeting held at the Boise convention center, June 26th. |
posted Apr 30, 2012, 10:23 AM by Dong Xu
The talk is titled "Accelerating biomedical discovery with advanced molecular simulation". |
posted Apr 30, 2012, 10:19 AM by Dong Xu
Rance and Andy have successfully presented their seminar seminars and submitted their final research reports.
Congrats to both of them! |
posted Apr 6, 2012, 1:50 PM by Dong Xu
Dr. Xu showcases the simulation capacities of his lab and the highlights of the most recent research advancements in his lab.
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posted Apr 2, 2012, 2:55 PM by Dong Xu
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updated Apr 2, 2012, 2:56 PM
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Congrats Garrett!
UCSD is one of the best place for cutting-edge computational chemistry. Way to go!
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posted Mar 28, 2012, 12:31 AM by Dong Xu
Prof. McCammon is a world renowned computational and theoretical chemist, a member of US National Academy of Science and Dr. Xu postdoc advisor at UC San Diego Photos from this banquet dinner on Sunday, March 25, 2012 Hilton San Diego Gaslamp Quarter 6:00 PM – 9:00 PM |
posted Mar 27, 2012, 12:27 AM by Dong Xu
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updated Mar 27, 2012, 12:29 AM
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This paper describes the implementation and validation of AMBER GPU MD code "Routine microsecond molecular dynamics simulations with AMBER on GPUs - Part I: Generalized Born". This is a major advancement for the popular AMBER MD code and the work is expected to have significant impact on the biomolecular modeling community.
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posted Mar 27, 2012, 12:20 AM by Dong Xu
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updated Apr 2, 2012, 2:52 PM
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There's no doubt that Nico's prior research work, under the guidance of Dr. Xu, played a critical role in his successful graduate school applications.
Wow, what an achievement! Congratulations, Nico!
Dr. Xu met with Nico in San Diego during the ACS meeting. Nico has decided to go to Harvard.
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posted Mar 21, 2012, 10:49 AM by Dong Xu
Nilab is a computer science major and chemistry minor. She will be co-advised by Dr. Xu and Dr. Alark Joshi to work on a novel GPU-Accelerated molecular docking program as a result of a recent research collaboration initiative between the two labs.
Welcome, Nilab! |
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