KNIME node to retrieve the interaction fingerprint of specific kinase-ligand complexes from KLIFS. This node allows a user to retrieve the interaction fingerprint (IFP) from KLIFS for chemoinformatics analysis. The fingerprint has been corrected for gaps/missing residues within the KLIFS pocket thereby enabling all-against-all comparisons. This functionality allows users, for example, to perform their own interaction pattern similarity analysis, to search for specific interaction patterns, to utilize the interaction patterns in predictive models, and to compare in-house calculated interaction patterns (e.g. from docking studies) to all interaction patterns within KLIFS.
Options
Advanced Options
Popular Successors
- Fingerprint Similarity35 %
- Interaction Fingerprint Decomposer16 %
Joiner12 %- Interaction Fingerprint Retriever7 %
- Column Filter7 %
- Joiner5 %
- String Manipulation5 %
- Fingerprint Similarity2 %
- Fingerprint From Binary String2 %
- Fingerprint Similarity2 %
- Fingerprint Bayesian Predictor2 %
- Fingerprints2 %
- RDKit Diversity Picker2 %
Views
- This node has no views
Workflows
- No workflows found
Links
- No links available
Developers
You want to see the source code for this node? Click the following button and we’ll use our super-powers to find it for you.