Proton transport in carbonic anhydrase: Insights from molecular simulation

This article reviews the insights gained from molecular simulations of human carbonic anhydrase II (HCA II) utilizing non-reactive and reactive force fields. The simulations with a reactive force field explore protein transfer and transport via Grotthuss shuttling, while the non-reactive simulations...

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Veröffentlicht in:	Biochimica et biophysica acta 2010-02, Vol.1804 (2), p.332-341
Hauptverfasser:	Maupin, C. Mark, Voth, Gregory A.
Format:	Artikel
Sprache:	eng
Schlagworte:	Animals Carbonic Anhydrase Carbonic Anhydrases - chemistry Carbonic Anhydrases - metabolism Computer Simulation Humans Ion Transport Molecular Dynamics Multi-State Empirical Valence Bond Proton Transfer Proton Transport Protons Simulation
Online-Zugang:	Volltext
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