“Shrink-Wrap” surfaces: a new method for incorporating shape into pharmacophoric 3D database searching
JH Van Drie - Journal of chemical information and computer …, 1997 - ACS Publications
A new method for representing a molecular surface is described, the “shrink-wrap surface”,
which allows a simple and rapid computation of steric overlap. We describe how this surface …
which allows a simple and rapid computation of steric overlap. We describe how this surface …