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 …