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Explicit solvent 1 Monte Carlo simulation 1 Protein 1 Thermodynamics 1
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Caliri, A. 1 Rocha, L.F.O. 1 Silva, I.R. 1
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Physica A: Statistical Mechanics and its Applications 1
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Distinct conformational properties determined by implicit and explicit representation of protein–solvent interactions. An analytical and computer simulation study
Rocha, L.F.O.; Silva, I.R.; Caliri, A. - In: Physica A: Statistical Mechanics and its Applications 388 (2009) 19, pp. 4097-4104
implicit and other with explicit solvent, such that both reproduce the same thermodynamic results. Firstly, lattice models … used for the lattice models, two inter-consistent Monte Carlo off-lattice models for implicit and explicit solvent are … configurational evolution as well as the globule equilibrium conformation are significantly distinct for implicit and explicit solvent …
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