November 2021 newsletter
Posted
by Rachel Cliffe
on
A roundup of computational chemistry news from Cresset in November.
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Streamlining collaboration and information delivery of outsourced discovery projects
Posted by Rachel Cliffe onAs a specialist CADD CRO, Cresset Discovery applies sophisticated computational approaches and extensive cross-industry expertise to support pharmaceutical and biotech ...
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Building predictive QSAR models with Flare™ to prioritize the best molecules
Posted by Rachel Cliffe onRobust QSAR models enable computational and medicinal chemists to accurately predict the biological activity and ADMET properties of new compounds. ...
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October 2021 newsletter
Posted by Rachel Cliffe onA roundup of computational chemistry news from Cresset in October.
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Prioritize the best molecules in drug discovery using Spark™ and Flare™ FEP
Posted by Jenny Brookes onFree Energy Perturbation (FEP) methods enjoy a strong reputation for delivering reliable and robust binding affinity predictions for small molecule ...
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September 2021 newsletter
Posted by Rachel Cliffe onA roundup of September's computational chemistry news from Cresset.
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Optimizing the docking pathway in Spark™: Find novel results by computing ligand-protein interactions directly from the active site
Posted by Mark Mackey onFind novel bioisosteres with Spark Spark is a bioisostere replacement solution that enables drug discovery research chemists to generate highly innovative ...
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Cresset Discovery Services enters collaboration with the University of Newcastle, Australia, to repurpose therapeutics against oncology targets
Posted by Rachel Cliffe onCambridge, UK – 14 September 2021 – Cresset Discovery Services, provider of contract research services for early phase of drug ...
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August 2021 newsletter
Posted by Rachel Cliffe onA roundup of this month's computational chemistry news from Cresset.
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Enhance your discovery project performance by integrating Flare™ with external systems using the Python™ API
Posted by Tim Cheeseright onThe Flare Python API enables computational chemists to automate common tasks in the GUI and access Flare science from the ...
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Review of Scientific Computing World ‘Streamlining drug discovery’ article
Posted by Rachel Cliffe onDrug discovery is an increasingly complex process with significant time and costs needed to develop a new drug from hypothesis ...
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The search for a better charge model
Posted by Peter Cherry onProtein-ligand binding affinity is one of the most useful metrics for predicting drug activity. Techniques for estimating binding affinity are ...