Toward Theoretical Analyis of Long-Range Proton Transfer Kinetics in Biomolecular Pumps†
نویسندگان
چکیده
منابع مشابه
Toward theoretical analysis of long-range proton transfer kinetics in biomolecular pumps.
Motivated by the long-term goal of theoretically analyzing long-range proton transfer (PT) kinetics in biomolecular pumps, researchers made a number of technical developments in the framework of quantum mechanics-molecular mechanics (QM/MM) simulations. A set of collective reaction coordinates is proposed for characterizing the progress of long-range proton transfers; unlike previous suggestion...
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1 Frontier Research System, The Institute of Physical and Chemical Research (RIKEN), Wako-shi, Saitama 351-0198, Japan 2 CREST, Japan Science and Technology Agency, Kawaguchi, Saitama 332-0012, Japan 3 Quantum Cat. Analytics, 1751 67 St. #E11, Brooklyn, New York 11204, USA 4 Department of Physics, Queens College, The City University of New York, Flushing, New York 11367, USA 5 Department of Eng...
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ژورنال
عنوان ژورنال: The Journal of Physical Chemistry A
سال: 2006
ISSN: 1089-5639,1520-5215
DOI: 10.1021/jp052328q