Active Sites fit substrates like a glove fits a hand.
I propose active sites provide an electrostatic boundary
condition for the Schroedinger equation, with a distribution
of permanent charge and polarization charge that speeds
catalysis. I propose that a Robin boundary condition with
spatially dependent charge and 'dielectric constant' should
be the description of the active site for a Schroedinger 
equation of the substrate.


November 12, 2010