New release of THINK software

Focused and diverse pharmacophore selections of molecules can now be readily performed using new nodes in THINK 1.41 for KNIME 1.3.3.

A video demonstration can be found at

This new release also extends the De Novo functionality to generate derivatives of ligands docked into protein binding sites or fitted to pharmacophores with volume constraints.

A video demonstration can be found at

More information is available on the Treweren Consultants news page at or the general KNIME information page at

If you have queries of general interest please post them here otherwise PM or e-mail me. Thank you.