@Article{karney05a,
  author =       {Charles F. F. Karney and Jason E. Ferrara and
                  Stephan Brunner},
  title =        {Method for Computing Protein Binding Affinity},
  journal =      {J. Comput. Chem.},
  year =         2005,
  volume =       26,
  number =       3,
  pages =        {243-251},
  month =        feb,
  reprint =      {jcc05},
  doi =          {10.1002/jcc.20167},
  errata =       {wh-errata},
  eprint =       {cond-mat/0401348},
  abstract =     {A Monte Carlo method is given to compute the binding
                  affinity of a ligand to a protein.  The method
                  involves extending configuration space by a discrete
                  variable indicating whether the ligand is bound to the
                  protein and a special Monte Carlo move, which allows
                  transitions between the unbound and bound states.
                  Provided that an accurate protein structure is given,
                  that the protein ligand binding site is known, and
                  that an accurate chemical force field together with a
                  continuum solvation model is used, this method
                  provides a quantitative estimate of the free energy of
                  binding.}
}