I would like to create peptidomemetics based on a certain known peptide in silico.

For this I am asking if there can be any good references on this topic. (in silico specifically)

What I Want to do is; to create a small library of these peptidomemetics, then to screen their ability to dock a certain active site, then to run a molecular dynamics simulation to check the stability of the complex and the affinity to each of them.

Potential inquiries are;

Which software to use for building?

Which software for docking?

Which software to get parameters for these peptidomemetic to run the Mds? Or is there a preferred forcefield for these compounds?

Or

Should I deal with them in the same way as small molecules (this can be an answer that reliefs me at the end)

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