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 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 althought he steps are the same in Forge. See web clip.

Web clip: 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. See web clip.

A fields-based perspective on polypharmacology

Dr. Andy Vinter explains a fields-based perspective on polypharmacology including using polypharmacophores to combine protein templates, incorporating negative field patterns for selectivity and building structurally diverse polypharmacological libraries. Read article.