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• W1991497282 abstract "The cavity-biased grand-canonical ensemble method was applied to the simulation of a lipid bilayer using an enhanced Monte Carlo sampling technique. The enhancements include controlling the torsion and molecular rotation step size based on the lipid’s conformation and controlling the order of torsion change attempts. It was found that the proposed sampling technique significantly enhances the rate of sampling of the lipid conformations while the grand-canonical ensemble implementation ensures that the water can both penetrate and escape pockets in the bilayer. The latter will be particularly important for simulating bilayers with embedded molecules." @default.
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• W1991497282 date "1999-12-22" @default.
• W1991497282 modified "2023-10-14" @default.
• W1991497282 title "Grand canonical ensemble Monte Carlo simulation of a lipid bilayer using extension biased rotations" @default.
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• W1991497282 doi "https://doi.org/10.1063/1.480442" @default.
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