Solvent-Induced Free Energy Landscape and Solute-Solvent Dynamic Coupling in a Multielement Solute

Molecular dynamics simulations using a simple multielement model solute with internal degrees of freedom and accounting for solvent-induced interactions to all orders in explicit water are reported. The potential energy landscape of the solute is flat in vacuo. However, the sole untruncated solvent-...

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Veröffentlicht in:	Biophysical journal 1999-11, Vol.77 (5), p.2470-2478
Hauptverfasser:	San Biagio, P.L., Martorana, V., Bulone, D., Palma-Vittorelli, M.B., Palma, M.U.
Format:	Artikel
Sprache:	eng
Schlagworte:	Hydrophobic and Hydrophilic Interactions Molecular biology Molecular Dynamics Simulation Protein Conformation Proteins - chemistry Proteins - metabolism Simulation Solvents Solvents - chemistry Thermodynamics
Online-Zugang:	Volltext
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