Seitenhistorie

In this tutorial we will

1. determine see how to calibrate NOE data to obtain distance restraints,
2. derive a ligand bio-active conformation protein structure with the software CYANA,,
3. try how the exchange of ligand between free and bound state influence the NOESY spectra,
4. derive structure of  protein-ligand complexintroduce the NMR² approach for protein-ligand 3D structure elucidation.

To this end we will use the software CYANA, .

For viewing the molecular structures, we will use VMD.

CYANA Setup 

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Remark: CYANA is a proprietary software. For any installation problem, contact Peter Güntert, the author of CYANA.

Molecular viewer  

You need also a molecular viewer capable of saving mol2 file

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Part 1

Introduction for task 1:

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