ADL: Covalent docking and the interpretation of a dissociation constant

Halkides, Christopher halkidesc at
Fri Sep 4 07:52:25 PDT 2020

Hello Everyone,

We have been mainly performing covalent docking.  We are trying to interpret the value of K(eq) and •G° that the program provides.  For a noncovalent dock, the meaning of these two is clear, but I am unsure of the interpretation when covalent docking has been performed.


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