Electrostatics in protein–protein docking

A novel geometric‐electrostatic docking algorithm is presented, which tests and quantifies the electrostatic complementarity of the molecular surfaces together with the shape complementarity. We represent each molecule to be docked as a grid of complex numbers, storing information regarding the shap...

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Veröffentlicht in:	Protein science 2002-03, Vol.11 (3), p.571-587
Hauptverfasser:	Heifetz, Alexander, Katchalski‐Katzir, Ephraim, Eisenstein, Miriam
Format:	Artikel
Sprache:	eng
Schlagworte:	Algorithms electrostatic complementarity electrostatic patches grid representation by complex numbers Macromolecular Substances Models, Molecular Molecular docking molecular recognition Protein Binding Static Electricity surface matching
Online-Zugang:	Volltext
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