April has been a challenging month for us all around the world. It’s been amazing to see the powerful response across the research and development spheres and we’ve been delighted to be able to continue to work closely with our community.
In this newsletter you can find news of our first release of 2020, read more about how the virtual US user group meeting went, register for our upcoming What's Up webinar and read our latest blogs.
Please do send us your news and stories – we would love to feature them in future newsletters.
The CCDC team
CSD 2020.1 Release
The first major release of the year is available now with several new features including Pipeline Pilot integration and Aromatic Analyser for CSD-Materials. Read more about what's new in this release here
US UGM went virtual
Our user group meetings have been an important fixture in the CCDC calendar for many years. They provide a forum for us to hear from you, our users, in a relaxed and open discussion. We didn't want to lose this opportunity even with social distancing in place - so we adapted to host an online event and the feedback was great. Read More
Online workshop: Wednesday 27th May, 15:00 (UK)
Structure-based drug design with CSD-Discovery
In this workshop hosted by SCI and RSC you will learn how to:
analyse the geometry of your ligand molecule as well as the interactions between the ligand and the protein binding site for a given protein-ligand complex;
how to simultaneously mine 3D information from both CSD and PDB structures using pharmacophore features to identify ligand modifications and scaffold hops that are tolerated in the protein binding site;
predict the binding mode of new compounds using flexible protein-ligand docking.
We are calling all chemistry students who use chemical sketching software!
We would love to hear your feedback on any chemical structure drawing tools you have used. A 30 minute interview will help us to understand your requirements for a new chemical structure web sketcher that we are developing. Read more
Latest blogs
Top 200 Drugs in the CSD
Do you know how many of the top-selling drugs have crystal structures in the Cambridge Structural Database?Read Philip Andrews latest blog and download the poster where you can see the drug crystal structures in the database. Read more.
March 2020 Data Release
In our latest data update there are 23,006 new entries and 22,089 new unique structures. This brings the total in the Cambridge Structural Database to 1,057,180 entries and 1,038,250 unique structures. Read more.
How do I know my CSD software is up to date?
The way that we use version numbers in our software applications is changing - and this should now be much simpler! This blog explains what's changed, and how you can make sure you have the most up-to- date version. Read more.
Chemical Sketching Survey 2020 – the results are in
Our survey on chemical sketching tools ran in March and April 2020 - thank you to everyone who participated. The aim of this survey was to better understand the needs of the users of our web chemical sketching tools, here we present some of the results. Read more.
The #IYPTCrystals Competition
We are delighted to announce the launch of the #IYPTCrystals competition. After all your hard work researching elements of the Periodic Table, now it’s time to find the winner. Our panel of judges are selecting six element pages that stand out as being highly engaging, informative and have had high numbers of website views and social media engagements. We will announce the final six elements on the 4th of May and from this date you can vote for your favourite shortlisted element. Keep on eye on our website and social media channels. The element page with the most votes will be our IYPTCrystals winner. The author will be rewarded with a 3D structural model and the glory of being crowned our IYPT champion!
and Instagram and share with us your home activities, what you have discovered and learnt about chemistry and crystals while working or learning at home.
If you'd like to contribute your stories or research to our monthly newsletter, please don't hesitate to get in touch at hello@ccdc.cam.ac.uk.
CCDC, 12, Union Rd, Cambridge, Cambridgeshire CB2 1EZ, United Kingdom
