TUTORIALS
COMPOUNDS
PROTEIN INTERACTION EXPLORER
Tutorial for Query mode
A short video that shows how to use the new web application to rapidly build tailored and complex queries to iPPI-DB and share data with colleagues.
Tutorial for Visualize pockets
This tutorial guides the user on how to:
- navigate and access the Protein Interaction Explorer (PIE) section of the IPPIDB web-server
- view list of PIE functionalities
- display all available pockets in PIE as an “Overview” list
- search for any protein they want to visualize
- open the PIE 3D viewer to display the protein chains and associated pockets
- move/zoom 3D structures on the viewer
Tutorial for Contribution mode
A short video that shows how you can efficiently add new data to iPPI-DB using the contribute mode and your ORCID ID.
Tutorial for Analyze druggability / interactibility
This tutorial shows how to use the PIE (Protein Interaction Explorer) 3D viewer to:
- display and scale druggability prediction scores by InDeep* and superpose them on the 3D protein structures
- display and scale InDeep*predicted interactibility scores superposed on 3D protein structures
*Indeep: V. Mallet, L. Ruano, A. Franel, M. Nilges, K. Druart, G.Bouvier, O.Sperandio, InDeep: 3D fully convolutional neural networks to assist in silico drug design on protein-protein interactions, Bioinformatics, Volume 38, Issue 5, March 2022, Pages 1261-1268
Tutorial for Visualize hotspots and ligands
This tutorial shows how to use the PIE (Protein Interaction Explorer) 3D viewer to:
- visualize hotspots detected by FoldX for a protein complex
- visualize ligands superposed with chains of related proteins
- show colocalization of ligands with predicted hot spots
Tutorial for study closely related pockets
This tutorial shows how one can:
- explore the “Pockets” section of the PIE
- for a given pocket on a displayed protein, display list of all similar pockets from the iPPI-DB database
- display PSI metric (Pocket Similarity Index) for all the pockets with respect to the given pocket
- display list of physio-chemical descriptors for all the “similar” pockets
How to use the TMAP
This tutorial shows how to:
- access and use the TMAP (pocketome) feature of PIE (Protein Interaction Explorer)
- Use the “Chart Help” feature to learn how to navigate the TMAP
- meaning of different criteria or legends which can be viewed on TMAP
- color code TMAP with different criteria
- search and query information for a complex via TMAP window
- format the names of HD (heterodimer) and PL (protein-ligand) pockets