09
Hydration Surface
- Problem with molecular surface:
Water does not really roll on protein surface like a sphere.
This is treating water chemically like liquid argon.
- Solution: calculate actual locus of real water positions in a simulation
and fit a surface through the mean position of the second hydration shell.
Talk on Surfaces and Volumes /
(C) Mark Gerstein (mbg@hyper.stanford.edu) /
May 1996