Hello everyone,
This is my first post here. I want to analyze the interaction between a ligand and the protein cavity it binds to. Given the huge size of the cavity, I’ve isolated only the crucial residues and filled the open valences where I’ve truncated the rest of the protein. So now I have two monomers:
- The first monomer represents the ligand.
- The second monomer comprises four residues, each isolated from one another.
I’m curious whether the partial disconnection of the second monomer might affect the results obtained from SAPT0.
Thanks for your advice.
David.