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Using services to evaluate software
Evaluating new computational chemistry software requires a significant investment of time. No matter how helpful the sales team is, nor how many demonstrations you have seen, what really counts are...
View ArticleAnalyze SAR and property data
Analyzing SAR and property data is a core expertise for Cresset Discovery Services (CDS). We have experience working with a wide range of different targets, including fragrances, flavors, standard...
View ArticleJune 2016 newsletter
Using services to evaluate software Martin Slater, Director of Cresset Discovery Services, explains an innovative alternative to running in-house evaluations. By using services to evaluate software you...
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Engaging with Cresset Discovery Services
Cresset Discovery Services (CDS) offers bespoke in silico services for small molecule discovery. We do a lot of work in drug discovery and optimization for the pharmaceutical industry but we also work...
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What’s in the CDS virtual screening toolbox?
Cresset is very well known for providing fast and accurate ligand-based virtual screening through Blaze. We have now added the Lead Finder docking engine to our virtual screening toolbox, giving...
View ArticleDevelop bespoke software
Cresset software focuses on novel methods to discover, design, perfect or view compounds and their data in easy to use applications. Our applications are firmly founded in the experience of our...
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Build and cluster diverse 3D libraries
Cresset Discovery Services (CDS) worked with BioBlocks to analyze their fragment library to maximize coverage of 3D chemical space. As part of the project, we developed an innovative clustering method...
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October 2016 newsletter
Progress in structure-based design at Cresset We have made great strides towards our new product in the last six months. Find out more about our progress and what is left to do ahead of our planned...
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Flavors, fragrances and force fields: Using pharma methods to sniff for...
Computational methods that analyze how drugs interact with protein targets are also effective for flavor and fragrance molecules. Applying pharmaceutical discovery methods to flavors and fragrances...
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A new breed of CRO
Cresset Discovery Services (CDS) is a new breed of CRO. This is evident in two core principles that guide our work. The first is to use excellent in silico methods to aid small molecule discovery and...
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Homology modeling and ligand electrostatics plays key role in elucidating...
Last month F2G published a paper in PNAS [1] describing F901318, the leading representative of a novel class of antifungal drug. Dr Martin Slater, Director of Cresset Discovery Services, is a co-author...
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Cresset Discovery Services case studies
Cresset Discovery Services manages and delivers outsourced computational chemistry programs. We work alongside chemists to solve problems, provide fresh ideas, remove roadblocks and add direction and...
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Conduct ligand-protein docking
A long-standing customer of Cresset Discovery Services asked us to identify new compounds that could be active at their protein target. We conducted ligand-protein docking to narrow down their 50k...
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Move from hit to lead
A long-standing customer had a hit series with good activity but poor properties. Cresset Discovery Services worked closely with the customer to formulate a plan of action to optimize the compound...
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Water stability is key to designing novel patentable chemistry
An analysis of the water stability and positions in a ligand-protein complex informed the design of novel ligands for a customer target. This work led to new active chemistry that the customer went on...
View ArticleHelp with writing your grant application
Don’t wait until you have funding to talk to Cresset Discovery Services about working together. We can help before you even start writing your grant application. Our experience in helping write grant...
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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...
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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...
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Flare enhances the Cresset Discovery Services toolbox
One of the advantages of working for Cresset Discovery Service is that I have access to software that is under development. I’ve therefore been working successfully with Flare, our newly-released...
View ArticleComputational approaches to ion channel drug discovery
In October, I presented Computational approaches to ion channel drug discovery at the ‘USA Integrated Drug Discovery Spotlight Event: Overcoming Challenges in Ion Channel Drug Discovery and Safety’...
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