Cresset publishes November & December 2016 newsletter


Computational chemistry news including CEO end of year message.

Add This Share Buttons

CEO end of year message

Rob Scoffin reviews 2016 which has been an exciting year of developments for Cresset.

Docking Factor-Xa ligands with Lead Finder

In this case study, two different Lead Finder docking modes (standard and extra precision) were used in docking studies on a small number of Factor-Xa (FXa) protein-ligand complexes originally used in the CSAR 2014 benchmark exercise.

Spark reagent databases

The November release of the Spark reagent databases derived from eMolecules is now available.

Web clip tips and tricks

Elucidating binding mode and molecular interaction of new class of anti-fungal drugs

Dr Martin Slater, Director of Cresset Discovery Services, describes how modeling work was critical to predicting the binding mode of the inhibitor and important interacting amino acid residues.

Recent citations and presentations

Pave the way for more repurposed drugs

David Cavalla, Numedicus, argues that linking prescriptions to medical conditions would make it easier for companies to re-coup costs and open the way to market for repurposed compounds for rare diseases.

The Cresset User Group Meeting – June 29-30, 2017 – Cambridge, UK

  • June 29: Scientific program featuring invited speakers from four continents. Cresset in-house experts will present the latest software developments, including a showcase of our new structure-based design tool.
  • June 30: Hands-on software workshops.



To read more information, click here.

Computational solutions for drug discovery