Packing, Cavities. atomic radii, contact-distance profiles cavities P-P interactions crystal contacts solvent channels de-stabilizing mutations in core (TS mutants?) entropy effects on surface. Surface Calculations. Lee & Richards - solvent accessible surface
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from Richards (1977)
data on compressibility?
Jie Liang and Ken A. Dill (BiophysJ, 2001).
Are Proteins Well-Packed?
Jones and Thornton – Patch Analysis,
grid nodes within 1.8A of
protein atom are “inside”
PatchDock, FireDock (Nussinov & Wolfson)