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A separable shadow Hamiltonian hybrid Monte Carlo method.
Sweet CR, Hampton SS, Skeel RD, Izaguirre JA. Sweet CR, et al. Among authors: izaguirre ja. J Chem Phys. 2009 Nov 7;131(17):174106. doi: 10.1063/1.3253687. J Chem Phys. 2009. PMID: 19894997 Free PMC article.
Long Timestep Molecular Dynamics on the Graphical Processing Unit.
Sweet JC, Nowling RJ, Cickovski T, Sweet CR, Pande VS, Izaguirre JA. Sweet JC, et al. Among authors: izaguirre ja. J Chem Theory Comput. 2013 Aug 13;9(8):3267-3281. doi: 10.1021/ct400331r. J Chem Theory Comput. 2013. PMID: 24436689 Free PMC article.
Modeling conformational ensembles of slow functional motions in Pin1-WW.
Morcos F, Chatterjee S, McClendon CL, Brenner PR, López-Rendón R, Zintsmaster J, Ercsey-Ravasz M, Sweet CR, Jacobson MP, Peng JW, Izaguirre JA. Morcos F, et al. Among authors: izaguirre ja. PLoS Comput Biol. 2010 Dec 2;6(12):e1001015. doi: 10.1371/journal.pcbi.1001015. PLoS Comput Biol. 2010. PMID: 21152000 Free PMC article.
30 results