Empowerment of rare disease patients in modern healthcare delivery

  By David Cavalla, Numedicus Limited.         If you’re fond of alliteration you’ll know that you can divide the stakeholders in modern healthcare into three ‘P’s: patients, payers and pharmaceutical companies, with physicians and pharmacists taking additional minor roles. Traditionally the patient has played a passive part, but over recent years the

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July 2017 newsletter

Flare release announcement Flare™ is released and ready for you to evaluate. Flare brings you new insights for structure-based design in a modern, easy to use interface that provides a framework for future growth. Combining the best of Cresset research with cutting edge methods from academia and selected commercial partners, Flare gives you a deeper

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In silico methods to streamline optimization

It’s a long journey from hit to lead, and the path is called optimization. Your discovery program started with some promising leads from a high throughput screen. The biology has been done and the chemistry has shown that there is an effect on the biochemical assays. You have a series of hit molecules, a set

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Thirty years, and counting

Lessons and Successes in the Use of Molecular Fields, an invited chapter for the ‘In Silico Drug Discovery Tools’ section of Comprehensive Medicinal Chemistry III, has recently been published by Elsevier. The chapter reviews more than thirty years of research in the area of molecular interaction fields, starting from the ground-breaking work done by Cramer,

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Presentations from The Cresset User Group Meeting 2017

Thank you to the invited speakers, and delegates, who contributed to the success of The Cresset User Group Meeting. The presentations we have permission to publish can be downloaded upon completion of the form below. &nbsp

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Launch of Flare

Flare™ 1.0 is released and available for evaluation! Flare is designed to bring you new insights for structure-based design in a modern, easy to use interface that provides a framework for future growth. Flare combines the best of Cresset research with cutting edge methods from academia and selected commercial partners to give you a deeper understanding

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Cresset releases Flare: Powerful structure-based design application with outstanding new methods for protein-ligand systems

Cambridge, UK – 29 June 2017 – Cresset, innovative provider of software and contract research services for small molecule discovery and design, announces the release of Flare, an intuitive desktop application that provides outstanding new methods for understanding protein-ligand systems. Flare enhances Cresset’s existing excellent product range focused on ligand-based design, and becomes their first product

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June 2017 newsletter

Flare release imminent: New insights for structure-based design With the release of Flare imminent, Tim Cheeseright acknowledges the dedicated alpha and beta testers who have contributed to this exciting new application for structure-based design. Molecular design towards Protein-Protein Interaction inhibitors Martin Slater explores a powerful combination of cutting edge ligand and structure-based modeling using Flare

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Cresset applications licensed by Shiv Nadar University, India, to teach computational chemists of the future

Cambridge, UK – 20 June 2017 – Cresset, innovative provider of software and contract research services for small molecule discovery and design, announces that the Shiv Nadar University, India, has licensed the following applications to educate the computational chemist of the future: Forge – powerful ligand-focused workbench for SAR and design; and Spark – scaffold

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Molecular design towards Protein-Protein Interaction inhibitors

In December 2016 I attended the SCI Protein-Protein Interaction symposium. Armed with Cresset’s powerful ligand centric molecular modeling suite Forge, and an embryonic version of our new structure-based design application, Flare, I was keen to see what could usefully be done with PPI’s. Prof. Richard Baylis (University of Leeds, UK) presented new data on the

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