Quick Example Run
The button provides a shortcut to run the example described below about finding transient sub-pockets in a molecular dynamics trajectory of Aldose reductase.
Clicking the button, will forward you to the launch page. Here you need to click on the Launch TRAPP structure/analysis option.
On completion, please select and run TRAPP pocket from the result page, optionally selecting the options for clustering and/or PCA analysis.
Description of Examples
Finding transient sub-pockets in a MD trajectory (Aldose reductase, AR);
Finding transient sub-pockets in crystal structures (p38 MAP kinase)
Exploring cryptic pocket formation in MD trajectories generated by L-RIP (p38 MAP kinase)
Simulation of the binding pocket flexibility in HSP90 using RIPLIG and L-RIP
Differentiating binding pocket features using a multiple sequence alignment (Dihydrofolate reductase, DHFR)