Theoretical Study of Aqueous Solvation of K<sup>+</sup> Comparing ab Initio, Polarizable, and Fixed-Charge Models

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  • Troy W. Whitfield
    Biosciences Division, Argonne National Laboratory, 9700 South Cass Avenue, Argonne, Illinois 60439, Center for Molecular Modeling and Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania 19104-6323, Computational Bioscience Department, Sandia National Laboratories, Albuquerque, New Mexico 87185, and Department of Biochemistry, University of Chicago, Chicago, Illinois 60615
  • Sameer Varma
    Biosciences Division, Argonne National Laboratory, 9700 South Cass Avenue, Argonne, Illinois 60439, Center for Molecular Modeling and Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania 19104-6323, Computational Bioscience Department, Sandia National Laboratories, Albuquerque, New Mexico 87185, and Department of Biochemistry, University of Chicago, Chicago, Illinois 60615
  • Edward Harder
    Biosciences Division, Argonne National Laboratory, 9700 South Cass Avenue, Argonne, Illinois 60439, Center for Molecular Modeling and Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania 19104-6323, Computational Bioscience Department, Sandia National Laboratories, Albuquerque, New Mexico 87185, and Department of Biochemistry, University of Chicago, Chicago, Illinois 60615
  • Guillaume Lamoureux
    Biosciences Division, Argonne National Laboratory, 9700 South Cass Avenue, Argonne, Illinois 60439, Center for Molecular Modeling and Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania 19104-6323, Computational Bioscience Department, Sandia National Laboratories, Albuquerque, New Mexico 87185, and Department of Biochemistry, University of Chicago, Chicago, Illinois 60615
  • Susan B. Rempe
    Biosciences Division, Argonne National Laboratory, 9700 South Cass Avenue, Argonne, Illinois 60439, Center for Molecular Modeling and Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania 19104-6323, Computational Bioscience Department, Sandia National Laboratories, Albuquerque, New Mexico 87185, and Department of Biochemistry, University of Chicago, Chicago, Illinois 60615
  • Benoit Roux
    Biosciences Division, Argonne National Laboratory, 9700 South Cass Avenue, Argonne, Illinois 60439, Center for Molecular Modeling and Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania 19104-6323, Computational Bioscience Department, Sandia National Laboratories, Albuquerque, New Mexico 87185, and Department of Biochemistry, University of Chicago, Chicago, Illinois 60615

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