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Lattice Monte Carlo simulations

2 Molecular Dynamics Using Coarse-Grained Models [Pg.206]

Meyer and coworkers performed conventional MD simulations using a methodically derived coarse-grained model [109] wherein a single bead can be mapped to a monomeric unit of polyvinyl alcohol (PCVA, 20H3-) rather than the single methylene (-CH2-) typical of UA [Pg.206]

El Shakhnovich, G Earztdmov, AM Gutm, M Karplus. Pi otem folding bottlenecks A lattice Monte Carlo simulation. Phys Rev Lett 67 1665-1668, 1991. [Pg.390]

A. Milchev, W. Paul, K. Binder. Off-lattice Monte Carlo simulation of dilute and concentrated polymer solutions under theta conditions. J Chem Phys 99 4786-4798, 1993. [Pg.625]

S. K. Kumar, M. Vacatello, D. Y. Yoon. Off-lattice Monte Carlo simulations of polymer melts confined between two plates. J Chem Phys 59 5206-5215, 1988. [Pg.627]

D. Y. (1988) Off-Lattice Monte-Carlo Simulations of Polymer Melts Confined between2 Plates./. Chem. Phys., 89, 5206-5215. [Pg.68]

Leontidis, E, de Pablo, /. Laso, M, and Suter, U. W. A Critical Evaluation of Novel Algorithms for the Off-Lattice Monte Carlo Simulation of Condensed Polymer Phases. Vol. 116, pp. 283-318. [Pg.212]

COMPARISON WITH LATTICE MONTE CARLO SIMULATIONS... [Pg.73]

On- and off-lattice Monte Carlo simulations are among the best available methods to analyze complex nonlinear polymerizations, particularly those presenting a high extent of intramolecular cyclization (Somvarsky and Dusek, 1994 Anseth and Bowman, 1994). [Pg.86]

The coil-to-globule transition was studied for designed HP copolymer chains both by means of lattice Monte Carlo simulations using bond fluctuation algorithms and multiple histogram reweighting [100,101] and by a numer-... [Pg.51]

E.I. Shakhnovich, G. Farztdinov, A.M. Gutin, and M. Karplus, Protein Folding Bottlenecks A Lattice Monte Carlo Simulation, Phys. Rev. Lett., 67 (1991) 1665. [Pg.394]

See other pages where Lattice Monte Carlo simulations is mentioned: [Pg.342]    [Pg.102]    [Pg.185]    [Pg.165]    [Pg.182]    [Pg.647]    [Pg.647]    [Pg.648]    [Pg.649]    [Pg.649]    [Pg.177]    [Pg.398]    [Pg.291]    [Pg.291]    [Pg.292]    [Pg.294]   
See also in sourсe #XX -- [ Pg.181 ]

See also in sourсe #XX -- [ Pg.205 ]



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