Cresset, a provider of integrated in silico solutions for drug discovery has expanded its existing North American presence, with the creation of a new US facility in Boston, one of the world’s leading global hubs for pharma and life sciences. From its headquarters in Cambridge, UK, Cresset has grown into a drug discovery solutions company with a genuine global reach, with more than 50% of its revenues now coming from outside the UK...

Cresset, a provider of integrated in silico solutions for drug discovery, has released the latest version of its Flare drug discovery platform, which aims to improve ligand and structure-based drug design and the lead optimization process in early drug discovery. Flare Free Energy Perturbation (FEP) provides a quantitative method to reliably calculate relative binding affinity, enabling accurate ranking of molecules in a congeneric ligand series...

Cresset, innovative provider of solutions for CADD, DMTA efficiency and contract research, releases Flare™ V7, a comprehensive drug design platform that integrates the power of ligand and structure-based methods. New features and methods in Flare V7 include significantly enhanced Dynamics and Flare FEP calculations, a new ensemble docking method, enhanced quantitative SAR (QSAR) and Quantum Mechanics (QM) methods, and more tools to...

Cresset, innovative provider of outstanding software for molecule discovery and design, announces the release of Flare V6, their comprehensive ligand-based and structure-based design platform. This release of Flare delivers new and improved science and features to computational and medicinal chemists, to increase the efficiency and effectiveness of molecule design...

Cresset Discovery, provider of CADD expertise for drug discovery, is collaborating with the Translation team at The Francis Crick Institute as expert computational chemist in residence. Computational chemistry is a powerful method in tool development and drug discovery. It enables chemists to predict the physical properties and biological activity of compounds prior to synthesis and analysis, saving significant time and money by removing unnecessary wet chemistry...

PhoreMost has leveraged its proprietary SITESEEKER® drug discovery platform and PROTEINi® libraries to identify a peptide sequence inhibiting a novel protein target which was previously thought to be undruggable, relevant to an oncogenic cellular pathway. Cresset Discovery Services has been contracted under a flexible service agreement to determine how the peptide binds to the target, and to ultimately help find small molecules that have the same effect....

Cresset, provider of software and contract research services for small molecule drug discovery, and Liverpool ChiroChem, (LCC) a chemical technology innovator that produces chiral small molecules for biotech and pharmaceutical R&D, announce a collaboration to design novel compound libraries with the maximum pharmacological diversity within the smallest library size. Excellent library design is the key to efficient drug discovery. 

Cresset, innovative provider of computational solutions for small molecule drug discovery and design is pleased to announce the launch of their new website. The intuitive navigation presents their software and services offering in a clear structure, helping computational chemists, medicinal chemists, biologists and academics find the right solutions to progress their project....

Cresset, innovative provider of outstanding software for molecule discovery and design, announces the release of PickR™ V1.0. PickR is a new solution that enables computational chemists to cluster and select reagents for inclusion in hit-finding and hit-to-lead libraries, generating better intellectual property. “Unlike existing methods, PickR uses 3D electrostatic and shape properties to select diverse reagents,” says Dr Tim Cheeseright, Director of Products at Cresset....

Cresset, innovative provider of software and contract research services for small molecule discovery and design, is pleased to announce that Cancer Research UK Manchester Institute(CRUK MI), has licensed Flare for fresh insights into structure-based drug design. “Putting easy-to use and visually driven structure-based design software in the hands of our medicinal chemists will empower them to deliver the next generation of cancer therapeutics more efficiently,” says Professor Caroline Springer

Cresset, innovative provider of software for molecular discovery, is pleased to announce the release of Flare V2. Introducing major enhancements to ligand design and activity prediction in a modern, extensible, scriptable interface, Flare V2 raises the bar in structure-based design....

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 insights into how computational chemistry has helped transform their research...

Cresset is pleased to announce that Proximagen, a drug discovery and development company, has licensed Flare.

“Flare will give our medicinal chemistry team rapid, hands-on access to structure-based design capabilities” says Dr Ed Savory, Head of Exploratory Research, Proximagen. “When combined with our use of Cresset’s Forge for SAR and design, and Spark for R-group exploration and scaffold hopping...

Cresset 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 explicitly designed to support structure-based design....

Cresset 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 hopping application for progressing through lead optimization faster.

“Cresset actively supports academic research by providing flexible licensing terms,” says Dr David Bardsley, Commercial Director at Cresset. “We are delighted that Shiv Nadar University, India, joined the growing number of academics who are using our applications globally....

Cresset, innovative provider of software and contract research services for small molecule discovery and design, announces full line-up for The Cresset User Group Meeting, 29^th – 30^th June 2017 in Cambridge, UK.

The scientific program on 29^th June 2017 features speakers from 4 continents. Cresset scientists will present ‘New Insights for Structure-based Design with Flare’, ‘Peeking into the Heart of New Cresset Science’ and ‘What’s New in Ligand-based Design’....

Cresset, innovative provider of software and contract research services for small molecule discovery and design, signs three-way strategic agreement to speed up drug design.

Dr David Bardsley, Commercial Director, Cresset visited the School of Pharmaceutical Sciences, Sun Yat-Sen University, Guangzhou, China to sign a strategic cooperation agreement for drug design technology, developed within the Research Centre for Drug Discovery (RCDD)....

Cresset, innovative provider of software and contract research services for small molecule discovery and design, is pleased to announce a corporate rebrand, reflecting a new structure for this growing business.

“Cresset has grown dramatically since I joined as CEO in 2010, with a tripling of annual income over this period” says Dr Robert Scoffin, CEO of Cresset. “This new visual identity formalizes our structure into three divisions, reflecting the markets we serve and creating the conditions for even greater future growth....

Cresset is pleased to announce that BASF Crop Protection has invested in a global license giving their agrochemical researchers in Germany and India access to computational chemistry tools.

“Cresset software had previously been subject to an exclusivity agreement with a leading agrochemical company,” explains Dr David Bardsley, Commercial Director at Cresset. “Now our software is available across this industry we are experiencing a surge of interest from agrochemical companies keen to take advantage of our novel techniques...

New Spark eMolecules reagent databases enable researchers to tie bioisosteric replacement ideas to reagent availability

Synergy between technologies speeds up drug optimization cycle. Cresset, innovative provider of software and contract research services for small molecule discovery and design, is pleased to announce the release of the new Spark reagent databases based on available compounds from eMolecules. This will enable researchers to use Spark to find the best R-groups for their projects, whilst also enabling a close...

Cresset, an innovative provider of software and contract research services for small molecule discovery and design, is pleased to announce that SAI Life Sciences, a CDMO service provider with headquarters in Hyderabad India, has licensed several Cresset molecular design tools to advance their customer projects.

“We are pleased to associate with Cresset and have licensed cresset tools (Torch with Activity Miner, Spark), as the best tools to help our medicinal chemists design and optimize new drug candidates for our innovator clients,” says Sarma BVNBS, Vice President of Medicinal Chemistry at SAI Life Sciences. “We will be using Torch and Activity Miner to gain new insights into our SAR data, while Spark will help us to...

Cresset, innovative provider of software and discovery services for small molecule discovery and design, is pleased to announce that Cresset’s CEO, Dr Robert Scoffin, has been awarded a Fellowship of the Royal Society of Chemistry.

Dr Robert Scoffin FRSC, is an expert in the fields of molecular modeling and cheminformatics. He joined Cresset as CEO in 2010. His previous roles include CEO of Amedis a...nd VP, Europe at CambridgeSoft. He also heads up Re-Pharm, an early stage discovery company which uses Cresset software to assess compounds for repurposing. His DPhil is in Chemistry from the University of Oxford. Dr Scoffin joins

Cresset Discovery Services, provider of contract research services for early phase discovery, and Medicines for Malaria Venture (MMV), have entered into a collaborative agreement to use computer-aided drug discovery to identify back-up compounds for a recently discovered molecule in MMV’s portfolio.

“Cresset Discovery Services offer expertise in computational chemistry,” says Dr James Duffy, Associate Director, Drug Discovery, MMV. “We look forward to working with them to identify a back-up compound for one of our promising projects.” “Our experts in computational biology and computational chemistry are ideally placed to solve high impact problems in drug discovery such as the identification of back-up compounds...

Cresset Discovery Services, provider of contract research services for early phase discovery, has developed an innovative clustering method that made it possible to assess the 3D similarity across BioBlocks’ virtual database of over 1.5 million fragments.

Cresset’s work enabled BioBlocks, a collaborative medicinal chemistry company, to design new fragment libraries with maximal coverage of 3D chemical space. “Our goal was to help BioBlocks to build the maximum 3D diversity into small libraries of fragments from a starting pool of over a million compounds,” explains Dr Mark Mackey, CSO of Cresset. “Existing techniques would have required an unfeasible amount of computing...

Cresset, innovative provider of software and contract research services for small molecule discovery and design, is pleased to announce that Cancer Therapeutics CRC (CTx), a collaborative partnership of leading research institutes, universities and biotechnology companies in Australia, has licensed the virtual screening software Blaze for cancer research.

Blaze will be used to run virtual screening projects to translate Australia’s innovative research discoveries into new cancer drugs. “Cresset’s Blaze virtual screening platform was the obvious choice for us as it has a proven track record,” says Warwick Tong, Chief Executive Officer at CTx. “With access to a super computer at the Commonwealth Scientific and Industrial Research Organization (CSIRO) we now have the capability to run virtual...

Cresset, innovative provider of software and services for small molecule discovery and design, announces the release of the new Spark CSD Fragment Database derived from the Cambridge Crystallographic Data Centre’s (CCDC) Cambridge Structural Database (CSD).

“Spark replaces fragments of molecules with biologically equivalent alternatives,” explains Dr Robert Scoffin at Cresset. “It is ideal for scaffold hopping, moving to clear IP, replacing R-groups and growing or linking fragments. This new database of fragments from the CSD means that Spark’s results contain chemical replacements that have experimentally validated chemistry and known conformations. This gives them a higher chance of a smooth...

Cresset, innovative provider of software and services for small molecule discovery and design, is pleased to announce that they will be distributing COSMOlogic software in North America alongside the existing Cresset software range.

The COSMOlogic software provides in-depth analysis of fluid property and is very widely used in synthetic chemistry and chemical engineering. Cresset software focuses on the properties of small molecules and is widely used in synthetic chemistry and pharmaceutical discovery. Together, the two software ranges offer solutions across all aspects of chemical research, from discovery to scale-up and into product manufacturing. “We are delighted to be representing COSMOlogic in...

Cresset, innovative provider of computational chemistry software and services, is pleased to announce that F2G, a UK biotech focusing on the discovery and development of novel compounds to treat life threatening fungal diseases, has chosen to license Cresset’s Forge software to help them develop the next generation of antifungal agents.

Forge is a powerful ligand focused workbench for molecular design, SAR analysis, QSAR and more; Forge enables users to better understand the properties and activities of their existing molecules, and to design improved compounds. “F2G have used Cresset’s consulting services for over two years,” says Dr Graham Sibley, Head of Chemistry at F2G. “Through the work presented to us I was particularly impressed with the data management and...

Cresset, innovative provider of computational chemistry software and services, is pleased to announce that Mercachem, a leading European contract research organization, has chosen Cresset’s Torch and Spark software to support their growing medicinal chemistry service business.

Torch is a molecular design and SAR analysis application. Spark is a powerful bioisosteric replacement tool which is excellent for generating new chemical ideas for your project. “Mercachem delivers outstanding discovery and medicinal chemistry on a contract basis to global clients,” says Dr Gerhard Müller, Senior Vice President Medicinal Chemistry at Mercachem. “Computational tools are an essential part of our workflow and...

Cresset, innovative provider of computational chemistry software and services, announces that its drug discovery arm Re-Pharm Ltd has used Forge to identify novel anti-inflammatory activity for an existing drug, which is widely prescribed for other non-inflammatory conditions.

Re-Pharm was searching for drugs to be re-purposed against a new enzyme target. Using known ligands and a crystal structure as a starting point, they used Cresset’s Forge to build computational templates to match any compounds likely to be active at the new target. The results were screened and RP0217 was identified as an effective new anti-inflammatory agent. Re-Pharm has filed patents on RP0217 for a variety of disease indications...

Cresset, innovative provider of computational chemistry software and services, announces its annual user meetings, ‘Field Based Chemistry North America’ and ‘Field Based Chemistry Europe’.

Both meetings combine scientific presentations, product updates, and news on the latest Cresset research. There are also free expert training sessions for Cresset products at each meeting. The North America meeting takes place on June 11^th, 2014 in Cambridge, MA, USA. Presentations will be given by Novartis, Retrophin, Harvard Medical School, leading academics and Cresset scientists...

The new radial plots are an intuitive way of ranking Spark’s suggestions on multiple physicochemical properties.

Cresset, innovative provider of chemistry software and services, announces the release of Spark V10.2.  This release enhances Spark’s capabilities in the lead optimization phase of a drug discovery program by recommending new molecules to make from the immediately accessible chemistry space. Spark is a powerful tool for generating novel and diverse structures for your project....

Cresset, innovative provider of chemistry software and services, relocates today to offices near Cambridge. The move reflects Cresset’s growth and a desire to be close to the Cambridge Cluster. The new office is based in Litlington, Cambridgeshire and serves as the company’s global headquarters. 

“Cresset’s scientific team is one of our major assets”, says Dr Robert Scoffin, Cresset’s CEO.  “Our recent growth has seen us strengthen our scientific consulting team, our technical group and our sales staff.  This move represents an on-going investment in our people and our intention to continue to recruit the best scientific minds over the coming years.” Dr Scoffin adds, “Our new office environment will enable us to continue to deliver Cresset’s powerful combination of outstanding chemistry software and high value consulting services for drug discovery research...

Under a new agreement, Victrix CMCC will use Cresset’s software for their computational chemistry consulting projects. Cresset’s Spark, Forge and Torch software will help Victrix clients to carry out structure based drug design projects and build predictive 3D SAR models for lead identification.

“Victrix is very pleased to be able to offer our clients access to Cresset's software,” says Dr Adam Kallel, CSO of Victrix.  “Cresset’s field based software significantly expands our ability to help clients with programmes that have little or no structural information.” Dr Kallel adds, “I have been a believer in field based methodology since I began work in the pharmaceutical industry and I was an early adopter of the Cresset technology.  I believe the XED force field that underlies Cresset’s software provides the ability to model molecules and their molecular fields in a way that is as close to high level quantum mechanics as possible, giving valuable insights into structure reactivity relationships...

At Field Based Chemistry Europe, Dr Tim Cheeseright presented a pre-release of Cresset’s new Activity Miner module. The groundbreaking new science in Activity Miner helps researchers optimize their leads by identifying the key 3D structural and electrostatic changes that impact molecular activity. 

Activity Miner explores the structure activity landscape of a set of molecules. For each pair of molecules, the difference between them in electrostatics, shape and structure is compared to the difference in activity. A small change in structure or electrostatics that results in a large change in activity is known as an activity cliff. Conversely, large structural changes resulting in little or no change in activity indicate bioisosteres. In each case, the comparison indicates an area of interest that merits further research...

Cresset, innovative provider of chemistry software and services, announces the release of the GPU version of Blaze, the leading virtual screening platform. 

BlazeGPU runs at 40 times the speed of Blaze using affordable consumer hardware, making this effective lead generation tool accessible to any research lab. This dramatic speed increase means that screening a database of a few million compounds can be achieved overnight using a single desktop box with 4 GPUs, rather than requiring an expensive Linux cluster...

Cresset Completes Suite with the Release of blazeV10 for Virtual Screening

Cresset Group, innovative provider of chemistry software and services, announces that ProMining Therapeutics Ltd has chosen to license sparkV10 for assistance in its hit-to-lead optimization efforts