LeadIT: movies

collection

tutorial:
visual affinity assessment with HYDE

Assess the binding affinity and contributions to binding of your complex with HYDE! HYDE not only predicts binding but shows you at a glance which regions of your complex contribute favorably and infavorably to binding. With HYDE at your side you can modify your molecule interactively to optimize your complex and trigger new lead optimization ideas... this video shows you how!
The Quick Start Help lasts 40 secs, and is followed by a detailed tutorial.

tutorial:
instant re-scaffolding and fragment-based design with ReCore

Find new scaffolds, grow molecules towards pharmacophore points, link fragments – all this and more, and while incorporating binding site information and your chemical knowledge too! Use ReCore to evolve intuitive new lead optimization ideas... this video shows you how!
The Quick Start Help lasts 35 secs, and is followed by a detailed tutorial.

tutorial:
flexible, state-of-the-art docking

Investigate possible binding conformations of your complex using state-of-the-art docking software. Tune the docking approach to suit the character of your binding site, incorporate information you have about binding to guide the docking process, and test-drive those new lead ideas... this video shows you how!
The Quick Start Help lasts 50 secs, and is followed by a detailed tutorial.

tutorial:
using the receptor wizard to define your binding site in LeadIT

All of the key features in LeadIT either need or can make use of the Binding Site in your protein. For docking and HYDE this is essential – for ReCore a useful extra! Use the Wizard to adapt your Binding Site step by step or simply click through each step taking the sensible defaults to achieve the right Binding Site definition in your protein... this video shows you how!
The Quick Start Help lasts 35 secs, and is followed by a detailed tutorial.

tutorial:
fine tuning your binding site in LeadIT

Adapt your Binding Site hydrogen bonding network including the water definition using the tools available in the Ambiguities Step of the Receptor Wizard. Perhaps you want to change the default settings – you want it your way, you got it... this video shows you how!

tutorial:
modifying your molecule using the molecule editor in LeadIT

Try out that new lead idea interactively in HYDE or ReCore, with immediate effect! Let the Molecule Editor guide you in modifying your molecule with chemically intuitive suggestions and see watch the change in results for feedback... this video shows you how!
The Quick Start Help lasts 40 secs, and is followed by a detailed tutorial.

tutorial:
the library dialog in LeadIT

The Library contains a collection of small molecules that can be accessed for docking, HYDE and ReCore. Check out this film to get a quick overview of the Library in LeadIT and how it can be used...

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