ADL: water molecules in active site

Sirish R Narayanan srnaraya at ucsd.edu
Thu May 21 18:34:02 PDT 2020


Hello,

I wanted to do docking with a crystal structure that's known to need water molecules in the active site to facilitate binding of an inhibitor. Is it possible to keep solvent in the active site?

Best,
Sirish Narayanan


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