Various Supplementary Materials Associated with our Publications
 

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Calculation of cyclodextrin binding affinities: energy, entropy, and implications for drug design.
Chen,W., Chang,C.-E., Gilson,M.K., Biophys. J. 87:3035-3049, 2004.
Topology and CRD files for alpha-, beta- and gamma-cyclodextrins.
Energy minimum conformations for cyclodextrin complexes.


A synthetic host-guest system achieves avidin-biotin affinity by overcoming enthalpy-entropy compensation.
Mikhail V. Rekharsky, Tadashi Mori, Cheng Yang, Young Ho Ko, N. Selvapalam, Hyunuk Kim, David Sobransingh,Angel E. Kaifer, Simin `Liu, Lyle Isaacs, Wei Chen, Sarvin Moghaddam, Michael K. Gilson, Kimoon Kim and Yoshihisa Inoue. PNAS 104:52,20737-20742.
Topology and CRD files for CB[7] and several ferrocene derivatives.