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Curve Crossing in a Protein: Coupling of the Elementary Quantum Process to Motions of the Protein

  • Conference paper
Quantum Mechanical Simulation Methods for Studying Biological Systems

Part of the book series: Centre de Physique des Houches ((LHWINTER,volume 4))

Abstract

The quintessential quantum process in biology and chemistry involves electrons switching between two states. Two examples are electron transfer reactions in proteins when an electron moves from an orbital on the donor moiety D to an orbital on the acceptor moiety A and bond formation or bond breaking in an enzyme when electrons shift from a non-bonding state to a bonding state or vice versa. The energy expectation values of the two states E 1(t) and E 2(t)vary in time due to motions along a reaction coordinate, but also due to thermal fluctuations of the remaining degrees of freedom of the combined reaction—protein system. Often the interaction energies which couple the two electronic states involved in the reaction are weak, i.e., are small compared to the temporal variations of E 1(t) and E 2(t). In this rather typical case the actual reaction process is confined to moments when the two electronic states become energetically degenerate [E 1(t) = E 2(t)] or, to use a widely accepted phrase, when the curves E l and E 2 cross.

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Author information

Authors and Affiliations

  1. Department of Physics and Beckman Institute, University of Illinois at Urbana-Champaign, Urbana, IL, 61801, USA

    K. Schulten

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  1. K. Schulten
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Editor information

Editors and Affiliations

  1. Institut de Biologie Structurale, Laboratoire de Dynamique Molculaire, 41 avenue des Martyrs, 38027, Grenoble Cedex 1, France

    Dominique Bicout  & Martin Field  & 

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© 1996 Springer-Verlag Berlin Heidelberg

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Schulten, K. (1996). Curve Crossing in a Protein: Coupling of the Elementary Quantum Process to Motions of the Protein. In: Bicout, D., Field, M. (eds) Quantum Mechanical Simulation Methods for Studying Biological Systems. Centre de Physique des Houches, vol 4. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-662-09638-3_4

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  • DOI: https://doi.org/10.1007/978-3-662-09638-3_4

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-540-60869-1

  • Online ISBN: 978-3-662-09638-3

  • eBook Packages: Springer Book Archive

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