Cresset User Group Meeting 2018 to showcase new science, customer case studies and hands-on software workshops

Helping chemistry teams design the best molecules Cambridge, UK – 15 May 2018 – Cresset, innovative provider of outstanding software for molecular discovery, is pleased to announce the scientific program for its User Group Meeting on 21st – 22nd June in Cambridge, UK. “Leading chemists from industry and academia will present scientific case studies and

Read More…

April 2018 newsletter

A sneak peek into Flare V2: Python API and new science As promised, Flare V2, due for release next month. Giovanna Tedesco gives a sneak peek into the new Flare Python API, new science and significant improvements to functionality and usability. In the Cresset lab: Molecular design re-imagined Tim Cheeseright describes how project TorchWeb will

Read More…

In the Cresset lab: Molecular design re-imagined

Molecule design is a central task in drug discovery. It is both personal and collaborative, easy to do in 2D (on the fume hood or using a drawing application) but more productive when combined with the 3D environment of the chosen target. We have been thinking about how best to provide you with a molecule

Read More…

A sneak peek into Flare V2: Python API and new science

Less than a year ago we released Flare for structure-based design. At the time, we promised you that a Python API would be central to future of this novel application. In keeping with that promise, Flare V2 will include a new Flare Python API, new science and significant improvements to functionality and usability. Let’s have a

Read More…

Flexible academic licensing

Are you a: PhD student or postdoctoral researcher Course tutor Principal investigator Department head? Did you know that: You can access Cresset ligand-based desktop applications through a variety of flexible licensing options If you publish work which used Cresset technology, and you cite the applications used, we will promote your work through our website and newsletter? Apply Cresset to your

Read More…

Pharmacophore constraints – when should they be used?

Cresset’s alignment and scoring technology is based around the idea of electrostatic matching: the ‘best’ alignment of a pair of conformations is generally the one that provides the most similar molecular interaction potentials. In most cases this is true. However, we recognize that often some portions of the electrostatic potential, for example those involved in

Read More…

Review of the Collaborative Computational Project for Biomolecular Simulation training week

CCPBioSim (Collaborative Computational Project for Biomolecular Simulation) is an inclusive and wide ranging project, bringing together chemists, physicists and chemical engineers as well as researchers from all branches of ‘molecule-oriented’ biochemistry and biology. Earlier this month I attended the CCPBioSim training week, hosted by the University of Bristol. The workshops were aimed at training biomolecular

Read More…

March 2018 newsletter

Flare: Accessible structure-based design Tim Cheeseright, Director of Products, describes how a balance of usability and flexibility, with a focus on design and accessible methods, have contributed to accessible structure-based design with Flare™. New Spark databases released The release of Spark™ V10.5 in February brought completely new Spark databases. Derived from molecules in ZINC, eMolecules&#

Read More…

Flare: Accessible structure-based design

Modern structure-based design encompasses hundreds of methods, advanced algorithms and diverse biological targets. Cresset has a long-standing reputation for easy to use applications in the ligand-based design sphere. In deciding to bring Flare™, a new structure-based design application, to the market we created a challenge – can structure-based design be made simple? A balance of... Read More…

Review of 255th American Chemical Society Meeting

As a first time ACS delegate and speaker, and first time visitor to New Orleans, these were pretty awesome firsts! And for different reasons both eye opening. The cacophony of night life and live music on Bourbon Street contrasted with the splendour of Royal Street and Decatur Street architecture and many excellent cafés and restaurants.... Read More…