The business case for outsourcing FEP calculations
Posted
by Caroline Low
on
Everyone seems to be talking about FEP. What are the challenges in the application of FEP to your drug discovery ...
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Identifying allosteric pockets
Posted by Andy Smith onIdentifying and understanding them is particularly important for targets where traditional drug design methods fail and when HTS screens reveal ...
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Helping to understand protein conformations with molecular dynamics
Posted by Andy Smith onIn the correct context, molecular dynamics calculations can provide valuable information for project development, saving time and money. Molecular dynamics ...
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Identify and avoid problematic active sites
Posted by Andy Smith onAndy Smith shows how assessing the druggability of your active site at an early development stage can highlight any potentially costly issues ...
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Review of the 6th RSC/SCI Ion Channels as Therapeutic Targets Symposium
Posted by Martin Slater onIntroduction This bi-annual event was, as usual, of a high scientific standard with a great line-up of talks.
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Homology modeling
Posted by Rachelle Bienstock onRachelle Bienstock discusses homology modeling, a computational method of developing a structural model for a protein for which there is no ...
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CEO's end of year message 2019
Posted by Rob Scoffin on2019 has been another successful year for Cresset with significant growth and developments in both software and services. I want ...
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Narayana Nethralaya Foundation, India, licenses repurposed compound RP0217 for the treatment of ocular diseases
Posted by Sue Peffer onCambridge, UK – 10th December 2019 – Cresset Discovery Services, provider of contract research services for early phase discovery, is ...
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Free Energy Perturbation (FEP): Another technique in the drug discovery toolbox
Posted by Stuart Firth-Clark onIntroduction When I first started using CHARMM over 20 years ago as a PhD student, I regularly came across references ...
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Cresset Discovery Services contracted by PhoreMost to work on ‘undruggable’ oncology protein target
Posted by Sue Peffer onCambridge, UK – 4th December 2019 – Cresset Discovery Services, provider of contract research services for early phase discovery, is ...
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Cresset and Liverpool ChiroChem announce collaboration to curate cost effective, novel and highly diverse compound libraries
Posted by Sue Peffer onCambridge, UK – 20th November 2019 – Cresset, provider of software and contract research services for small molecule drug discovery, ...
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You have a crystal structure, but what do you do with it and how do you use it?
Posted by Andy Smith onThe increasing availability of protein crystal structures continues to have a huge effect on drug discovery, improving the ability to ...