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Accelerating molecular dynamic simulation on graphics processing units.
J Comput Chem. 2009 Apr 30;30(6):864-72. doi: 10.1002/jcc.21209.
J Comput Chem. 2009.
PMID: 19191337
Free PMC article.
Using generalized ensemble simulations and Markov state models to identify conformational states.
Bowman GR, Huang X, Pande VS.
Bowman GR, et al.
Methods. 2009 Oct;49(2):197-201. doi: 10.1016/j.ymeth.2009.04.013. Epub 2009 May 4.
Methods. 2009.
PMID: 19410002
Free PMC article.
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The predicted structure of the headpiece of the Huntingtin protein and its implications on Huntingtin aggregation.
Kelley NW, Huang X, Tam S, Spiess C, Frydman J, Pande VS.
Kelley NW, et al.
J Mol Biol. 2009 May 22;388(5):919-27. doi: 10.1016/j.jmb.2009.01.032. Epub 2009 Jan 23.
J Mol Biol. 2009.
PMID: 19361448
Free PMC article.
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