The GB is an effective  approach to  calculate
charge-charge interactions  in the
presence of continuum solvent:
 in the
presence of continuum solvent:
 - dielectric constant of
the solvent (80),  and
 - dielectric constant of
the solvent (80),  and 
 is a certain
smooth function which is assumed to depend only upon
atomic radii
 is a certain
smooth function which is assumed to depend only upon
atomic radii  and interatomic distances
 and interatomic distances  . A fairly simple analytic
form of
. A fairly simple analytic
form of 
 has been proposed by Still  and shown to describe electrostatic
interactions within small molecules quite well,
as compared to the solution of Poisson-Boltzmann equation  and experiment.
 has been proposed by Still  and shown to describe electrostatic
interactions within small molecules quite well,
as compared to the solution of Poisson-Boltzmann equation  and experiment.
|   |  |