How to include a water molecule at the active site if it is important in the catalysis?

Thai Leong Lai @Thai-Leong-Lai-2

15 August 2022 1 6K Report

Should the water be included under ligand.pdb or enzyme.pdb?

Could you please either the interactive or command line method to do so? Thank you.

Peter Broadhurst

Information on the reaction system under investigation and the candidate catalysts would be helpful!

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