Investigation of Salt Bridge Stability in a Generalized Born Solvent Model

Potentials of mean force (PMFs) of salt bridge formation between oppositely charged amino acid side chains were calculated both in explicit solvent and in a Generalized Born (GB) continuum solvent model to quantify the potential overstabilization of side chain ion pairs in GB relative to explicit so...

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Veröffentlicht in:	Journal of chemical theory and computation 2006-01, Vol.2 (1), p.115-127
Hauptverfasser:	Geney, Raphaël, Layten, Melinda, Gomperts, Roberto, Hornak, Viktor, Simmerling, Carlos
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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