A General Treatment of Solvent Effects Based on Screened Coulomb Potentials

A new implicit solvent model for Monte Carlo simulations of peptides and proteins is presented. The important features of the model are:  electrostatics of polar solvation described by nonlinear, distance-dependent screened Coulomb potentials that are formally connected to classical dielectric theor...

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Veröffentlicht in:The journal of physical chemistry. B 2000-07, Vol.104 (27), p.6478-6489
Hauptverfasser: Hassan, Sergio A, Guarnieri, Frank, Mehler, Ernest L
Format: Artikel
Sprache:eng
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