Blog - The Cambridge Crystallographic Data Centre (CCDC)

Q&A with Mihaela D. Smilova: building scalable drug discovery processes with fragment-based drug design

Ashley Moreno – Wed, 06 Apr 2022 16:16:00 GMT

In this Q&A-style blog with Mihaela D. Smilova (postgraduate researcher at the Centre for Medicines Discovery at Oxford University), learn about some of the advantages of fragment-based drug design, which she recently used for a drug design methodology called “ensemble hotspot mapping.”

Getting the most from CSD-Discovery: An overview of features, case studies and applications

Vera Prytkova – Wed, 04 Aug 2021 20:00:00 GMT

I’m a Research and Applications Scientist on the Discovery Science team at CCDC. In this short blog and accompanying video, I walk through how to make the most of your CSD-Enterprise licence using the tools in CSD-Discovery. The video highlights the available software in the Discovery suite and how it might fit into a drug development workflow. I also present real-world examples of a variety of research applications, including identifying dynamic disorder in semiconductors, advancing COVID-19 research and understanding ALR2 inhibitors for the treatment of diabetes complications.

CSD-Discovery in action: identifying aldose reductase inhibitors from Green Fluorescent Protein (GFP) to treat diabetes complications

Vera Prytkova – Fri, 14 May 2021 22:25:00 GMT

Here we highlight a paper using CSD-Discovery to identify drug models for the treatment of complications due to diabetes and to define molecular features that can guide future drug design. This is part of our series highlighting examples of the Cambridge Crystallographic Data Centre (CCDC) tools in action by scientists around the world.

Blog SuperStar

Q&A with Mihaela D. Smilova: building scalable drug discovery processes with fragment-based drug design

Getting the most from CSD-Discovery: An overview of features, case studies and applications

CSD-Discovery in action: identifying aldose reductase inhibitors from Green Fluorescent Protein (GFP) to treat diabetes complications

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