Proton transfer function of carbonic anhydrase: Insights from QM/MM simulations

Biochimica et Biophysica Acta - Proteins and Proteomics

Volumn 1804, Issue 2, 2010, Pages 342-351

  Riccardi, Demian ^a   Yang, Shuo ^a   Cui, Qiang ^a  

^a UNIVERSITY OF WISCONSIN MADISON   (United States)

Author keywords

Carbonic anhydrase; Electric field gradient; Grotthus; pKa; Proton hole; Proton transfer; QM MM

Indexed keywords

CARBONATE DEHYDRATASE; HISTIDINE; MEMBRANE PROTEIN; ZINC; ZINC ION;

ACCELERATION; BINDING SITE; CALCULATION; DONOR; ELECTRICITY; ENERGY TRANSFER; ENZYME ACTIVE SITE; ENZYME KINETICS; MODULATION; MUTATION; PRIORITY JOURNAL; PROTEIN FUNCTION; PROTEIN STRUCTURE; PROTON TRANSPORT; QUANTITATIVE ANALYSIS; REVIEW; SIMULATION; SOLVATE;

ANIMALS; CARBONIC ANHYDRASES; COMPUTER SIMULATION; HUMANS; ION TRANSPORT; PROTONS; QUANTUM DOTS; WATER;

EID: 74649083341     PISSN: 15709639     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bbapap.2009.07.026     Document Type: Review

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