Mar 8 2010
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Introduction
How To?
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Working with Chemistry Tools
Chemsitry Menu
Docking
Ligand Editor
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Index
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14.4 Re-Dock and Minimize Ligand
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In the Docking/Load Example the ligand is not optimally bound to the receptor. A clash between one of the atoms and the receptor is highlighted by an orange star (see below). We can also calculate the binding energy of the receptor complex and Score.

To remove this clash we can re-dock or minimize the biotin ligand. To do this click the "Re-Dock" ligand button.


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