The HSP90 binding mode of a radicicol-like E-oxime determined by docking, binding free energy estimations, and NMR 15N chemical shifts.
Spichty M, Taly A, Hagn F, Kessler H, Barluenga S, Winssinger N, Karplus M, Biophys Chem, 2009 Aug - link

Docking of alpha-cobratoxin suggests a basal conformation of the nicotinic receptor.
Konstantakaki M, Changeux JP, Taly A, Biochem Biophys Res Commun, 2007 Aug 3 - link