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11244347162
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note
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1, B, and 1 are dissolved in the same vessel at the start of the reaction.
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29
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0344778061
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3. All calculations were performed on a Silicon Graphics O2 workstation. Conformational searching was carried out using 10 000 step Monte Carlo simulations, and all conformation located within 50 kJ of the global minimum were minimized. The sets of conformations generated by these searches were then filtered appropriately using the analysis tools available within Macromodel.
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Still, W.C.1
Tempczyk, A.2
Hawley, R.C.3
Hendrickson, T.4
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30
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11244348099
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note
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a value measured for [5-7] suggests that the structure of 5 is poorly adapted to bind 7 strongly.
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