Presentations from 248th ACS National Meeting and Exposition

The following were presented at the 248th ACS National Meeting and Exposition in San Francisco. Bioisosteres in accessible chemistry space (CINF) Rapid identification and understanding of selectivity cliffs (MEDI – poster) Analysing selectivity through multi-dimensional activity cliff analysis (COMP – drug discovery) Semi-quantitative SAR using Bayesian modeling on activity cliffs (COMP – Ameri-QSAR) Find out…

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XedTools 3.1 released

Version 3.1 of our popular XedTools package is now available. The XedTools package provides access to our unique molecular mechanics force field in the form of: XedeX for conformation exploration XedMin for ligand minimization XedConvert for addition of our field points to molecules. All binaries receive minor updates in this release and we have generated…

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July 2014 newsletter

XedTools V3.1 released Version 3.1 of our popular XedTools package, giving access to our unique molecular mechanics force field, is now available. A new addition in this release is the incoporation of visualization plugins that enable the viewing of Cresset’s field points in third party applications. Read more. Web clip: Aligning molecules with Torch and…

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What are field points?

Cresset’s technology compares molecules using shape and electrostatic similarity simultaneously. In this short web clip we introduce the field point technology that enables these comparisons. Find out more about our technology or try it for yourself in one of our innovative, easy to use products.

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Aligning molecules with Torch and Forge

Molecule alignment is a central task to all experiments in Torch and Forge. In this web clip we show how to quickly and easily align diverse molecules using the wizard in Torch although the steps are the same in Forge. To perform your own alignment experiments simply signup for an evaluation of Torch or Forge…

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