Read an amino acid sequence, search for possible templates, look for relevant ones, build a homology model including the largest ligand and compare it to the template structure. Run a side chain sampling and a minimization of the binding site.
To use this workflow in KNIME, download it from the below URL and open it in KNIME:Download Workflow
Do you have feedback, questions, comments about NodePit, want to support this platform, or want your own nodes or workflows listed here as well? Do you think, the search results could be improved or something is missing? Then please get in touch! Alternatively, you can send us an email to firstname.lastname@example.org, follow @NodePit on Twitter, or chat on Gitter!
Please note that this is only about NodePit. We do not provide general support for KNIME — please use the KNIME forums instead.