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The Theory of Ultra-Coarse-Graining. 1. General Principles.
Dama JF, Sinitskiy AV, McCullagh M, Weare J, Roux B, Dinner AR, Voth GA. Dama JF, et al. Among authors: roux b. J Chem Theory Comput. 2013 May 14;9(5):2466-80. doi: 10.1021/ct4000444. Epub 2013 Apr 10. J Chem Theory Comput. 2013. PMID: 26583735
Grand canonical Monte Carlo simulations of water in protein environments.
Woo HJ, Dinner AR, Roux B. Woo HJ, et al. Among authors: roux b. J Chem Phys. 2004 Oct 1;121(13):6392-400. doi: 10.1063/1.1784436. J Chem Phys. 2004. PMID: 15446937
In addition, finite spherical systems of pure water and containing a dialanine peptide, are simulated with GCMC while the influence of the surrounding infinite bulk is incorporated using the generalized solvent boundary potential [W. Im, S. Berneche, and B. Roux, J. …
In addition, finite spherical systems of pure water and containing a dialanine peptide, are simulated with GCMC while the influence of the s …
Nucleotide regulation of the structure and dynamics of G-actin.
Saunders MG, Tempkin J, Weare J, Dinner AR, Roux B, Voth GA. Saunders MG, et al. Among authors: roux b. Biophys J. 2014 Apr 15;106(8):1710-20. doi: 10.1016/j.bpj.2014.03.012. Biophys J. 2014. PMID: 24739170 Free PMC article.
672 results