07 Molecular Surface

Solution: the smooth molecular surface.

M.S. = contact surface + re-entrant surface

• C.S. = points of tangency between probe sphere and protein when probe sphere is only touching one atom
• R.S. = solid angle of probe sphere when tangent to two protein atoms

First proposed by Richards, but hard to calculate. First numeric calc. by Connelly. Later analytic calculation by Connelly.

Analytic version is continuously differentiable.

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Talk on Surfaces and Volumes / (C) Mark Gerstein (mbg@hyper.stanford.edu) / May 1996