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Replica exchange simulation of reversible folding/unfolding of the Trp-cage miniprotein in explicit solvent: On the structure and possible role of internal water

Explicit SolventInternal WaterProtein AssemblyProtein FoldingMolecular Self-assemblySelf-assemblyNatural SciencesMolecular BiologyConformational StudyMolecular SimulationMedicineBiophysicsComputational BiophysicsReplica Exchange Simulation