Pipeline Pilot Protocols

Cresset supplies a suite of Pipeline Pilot protocols that wrap FieldStere, FieldAlign, XedeX and XedMin command lines. The protocols can be used in Pipeline Pilot or plugged directly into Discovery Studio to enable seamless integration of Cresset’s science into a larger environment. Integration of the display of Cresset’s Field points within Discovery Studio enables you to interpret Field based results in situ. Additionally FieldStere and FieldAlign protocols create project files that can be read directly into the corresponding desktop application, enabling rapid communication of your results with colleagues and giving you access to the full power of Cresset’s intuitive graphical user interfaces.

FieldStere helps you shorten your lead optimization cycles by choosing the best next synthesis, fine-tuning portions of lead molecules and enabling scaffold switching to expand into new chemical space.

FieldAlign gives you a detailed understanding of the observed activity, ADME and physicochemical properties of your molecules, and provides you with knowledge you can use to fine-tune specific properties into your leads.

XedeX is a conformation explorer that uses our unique XED force field. It is optimised to produce a small number of diverse, energy minimized ligand conformations. XedeX performance is exceptional, reproducing the ligand bioactive conformation in 100 conformations in the majority of drug-like ligands.

The unique XED force field lies at the heart of Cresset’s technology. The use of off-atom charges enables an improved description of intermolecular interactions and molecular fields. XedMin enables ligand minimization with the XED force field.