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Dr. Xu's GPU MD Manuscript Accepted by the Journal of Chemical Theory and Computation, a Prestigious ACS Publication.

posted Mar 27, 2012, 12:27 AM by Dong Xu   [ updated Mar 27, 2012, 12:29 AM ]
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.