Here's our April newsletter bringing you news and updates from the home of structural science. Content this month covers crystal structure prediction - including launch of CSD-Theory, using real-world data in drug design and teaching in the virtual world. Don't miss our events covering these subjects and much more.
The CCDC team
CSD-Theory
The first release of CSD-Theory allows you to search, display and analyse crystal structure prediction data through a web-based platform and the API. Watch the video below and read more.
Latest Blogs
2020 Struchkov Prize winners
The CCDC is excited to announce the 2020 Struchkov Prize winners for early-career work in crystallography. Applications and nominations for the next prize are now open.
Interested in real-world examples of structural data use in drug discovery? Read abstracts and research summaries from the first joint meeting of the Southern California and Boston Area Groups for Informatics and Modeling.
Crystal Structure Prediction (CSP) Blind test structure reveal
In CCDC’s CSP Blind Test, participants try to predict the correct molecular stoichiometry of a co-crystal. Here we reveal the 2D chemical structure of the target compound and detail the challenging task facing Blind Test participants. Read more
What is Crystal Structure Prediction? And why is it so hard?
Why is it so hard for chemists to predict the correct crystal structures that will form from a given molecule? Here’s Dr. Jason Cole’s summary on what CSP is, how industry uses it and why it’s so difficult. Read more
Ligand-based drug design is an approach used in the absence of 3D structures of drug targets. In this one-hour webinar, learn how the CSD-Discovery Ligand Overlay tool can be used for such research. We’ll also discuss Agile Developments at CCDC, new features and some tips and tricks for getting the most from your CCDC tools.
Confirmed speakers: Carl Poelking, from Astex Andreas Bender, University of Cambridge / Astra Zeneca Robert Glen, Imperial College London and active in the COVID Moonshot initiative
Join us to explore data-driven digital transformation in drug discovery.
Librarians Teatime Americas - join the first virtual meeting
If you are the librarian or site contact for your CSD licence, then this quick and informal virtual meeting is for you.
Date: Tuesday, 25th May
Time: 1.30pm to 2.30pm EDT (10.30am to 11.30am PDT)
Theme: Getting the most from your institution's CSD licence
The presentation and discussion will focus on topics like reviewing how to access and activate your CSD licence, exploring the CCDC tools included with your CSD licence and much more.
Feedback from you, our global user community, helps us to improve and keep providing the best data and software to advance your science.
Tell us how we're doing in this two question, one minute survey.
CSD Educators:
Alessia Bacchi from Università di Parma
The latest CSD-Educators blog from Alessia Bacchi, Universita di Parma, highlights her experience teaching in a virtual world, the use of Mercury and CSD tools by high school students and the importance of teaching three-dimensional concepts, such as the geometry of molecules. Read more
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.
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