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Consulting services as try-before-you-buy option
Customers often use Cresset’s consulting services to evaluate our techniques before they buy the software As CEO of a software and services company, I am sometimes asked whether Cresset is a software...
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Consulting services – 3D-QSAR and SAR analysis
“Cresset’s consulting services give you access to experts who decipher complex SAR regularly to solve real-world customer problems.” One of the popular tasks that we are asked to undertake within our...
View ArticleKick-starting stalled projects
When a project runs into patent or toxicology issues, scaffold hopping can be a fast track to new chemical space In the search for a compound that is efficacious, well tolerated and novel most drug...
View ArticleUsability and scientific usefulness – a difficult act to balance?
At Cresset we are proud of our combination of intuitive user interfaces and powerful underlying science. We take the time and thought to design our software so that it is as easy to use as possible. We...
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Focused screening library design – enhancing your expertise
‘Library design‘ is a phrase that can encompasses many approaches and workflows including the design of screening libraries or the design of lead optimization libraries. We offer computational...
View ArticleFrom virtual screening to real compounds
Managing the procurement process to deliver plated compounds to your door Cresset consulting services runs computational experiments to help you understand your chemistry better. The usual result from...
View ArticleIntelligent library design for protein families and beyond
Finding interesting hits against the plethora of potentially ‘useful’ new protein targets is still a significant challenge despite the growing list of techniques for detection and hit generation...
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All targets are not created equal
The factors that determine whether a protein is druggable are complex. The question is whether it is possible to find an inhibitor that will be able to conform to the requirements of the protein’s...
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Outsourcing computational chemistry for drug discovery
The trend to outsource is making computational chemistry methods affordable and accessible for smaller research organisations. In IPI Volume 6 Issue 2 on pages 28 to 30 I outline the scientific and...
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Keeping the right chemistry in compound procurement
What happens when virtual screening libraries meet the real world? Virtual screening libraries can be brilliantly designed to deliver the best range of chemistry for your wet screen, but when the...
View ArticlePredicting agonism in GPCRs
Predicting agonism in GPCRs was presented by Dr Martin Slater, Cresset at the Cresset European User Group Meeting 2015. The XED force field, developed by Dr Andy Vinter, is the foundation of all...
View ArticleLarge scale compound clustering in 3D
Large scale compound clustering in 3D was presented by Dr Paolo Tosco, Cresset at the Cresset European User Group Meeting 2015. Abstract Clustering a collection of n compounds requires the computation...
View ArticleLarge-scale compound clustering in 3D
At the Cresset European User Group Meeting 2015 I presented recent work carried out as a collaboration with BioBlocks, a US based company specializing in medicinal chemistry and drug discovery....
View ArticleIn silico drug discovery outside the traditional big pharma model
Abstract A major recent trend within the pharmaceutical industry, particularly noticeable in ‘Big Pharma’ companies, has been the downsizing of internal R&D capacity. This has been both a macro...
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Outsourcing pre-clinical discovery from start-ups and medium-sized pharma
In his career Dr Martin Quibell has worked as contractor and consultant. He has worked for a CRO and commissioned work from CROs. Over a relatively short period of time he has moved from an initial...
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Cresset’s innovative clustering method used to assess 3D similarity of 1.5...
Cambridge, UK – 23rd February 2016 – Cresset Discovery Services, provider of contract research services for early phase discovery, has developed an innovative clustering method that made it possible to...
View ArticleManaging the procurement process to deliver plated compounds
Cresset Discovery Services (CDS) often runs virtual screening projects for clients. The usual result is a list of compounds to make or purchase. However, procurement can be quite a difficult project in...
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Bridge resource gaps with Cresset Discovery Services
Cresset Discovery Services (CDS) interviewed, hired, trained and placed computational chemistry staff at a customer site. This involved the successful transition from a client outsourcing computational...
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An incredibly cost effective way of finding a chemical starting point
Many customers engage Cresset Discovery Services (CDS) to find a chemical starting point for their project. The input could be a competitor compound, a peptide, or a compound that is unsuitable for...
View ArticleIdentifying possible protein targets
An academic group had identified a molecule that was active in a phenotypic assay. Due to its similarity to other compounds, they initially thought it was acting through a known pathway. However,...
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