TorsionAnalyzer CSD Torsion Library

TorsionAnalyzer CSD Torsion Library from BioSolveIT

The ability to both understand and generate accessible low-energy conformers is indispensable for small molecule drug discovery. We have made the analysis easily accessible through a new and interactive graphical software tool called Torsion Analyzer

Rotatable bonds of molecules are color-coded on the fly by means of a traffic light highlighting regular, borderline and unusual torsion angles. This allows the user to see at a glance if one or more torsion angles are out of the ordinary

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Torsion Analyzer has been developed by Christin Schärfer in Matthais Rarey’s group at the ZBH, University of Hamburg, in collaboration with F. Hoffmann-La Roche AG (Basel, Switzerland). For more details please see the original publication (DOI: 10.1021/jm3016816).

BioSolveIT provides thedownload of the Torsion Analyzer software. However, this is exclusive of the CSD-based data. Subscribers of the CSD may download here the CSD torsion angle distribution data for optimum use of the Torsion Analyzer.