Here's your monthly update from the home of structural science. This month includes our just-published Matwalls white paper, some exciting upcoming events, access to our latest customer webinar recording, latest blogs and inspiring new research!
The CCDC team
Matwall white paper: from crystal structures to patients
We are delighted to announce the Matwall white paper is now available.
Simon Black and Rob Willacy, both with extensive direct experience in the pharmaceutical industry, have worked over the past few months to create the Matwall concept. This white paper describes the Matwall concept and demonstrates how crystal structures are crucial in supporting the development of commercially viable new medicines.
Join the discussion on effective materials knowledge transfer – from early phase development to commercial launch of medicines – with Simon Black and Rob Willacy. Make sure to add the upcoming webinar to your diary; invites and registration links will be sent around soon.
27th February, 4pm (GMT)
Latest blogs
Matwalls: Thinking about risks in the development of new materials
When we think about risks, lots of different things can come to mind but underpinning them all is the chance that something undesired may happen. If we didn’t take risks then few worthwhile accomplishments would ever be made. Read Rob's latest blog to find out more about the Matwall white paper. Read more.
Everybody wants to be a millionaire
Check out our latest blog: Everybody wants to be a millionaire and find out more about how exciting the CCDC’s journey to one million published structures has been. Read more.
Customer Update Webinar 2020
We recently ran the first in our series of customer update webinars for 2020. If you missed it you can access the recording and presentation here.
In this month's webinar we covered:
What is CCDC planning for 2020?
GOLD: How to run ultra-large docking jobs on cloud resources
2020.0 CSD release - demo H-bond quick view
We are running a series of webinars for users of CCDC tools and services, the next one is in March 19th, if you would like to attend please register your place here.
2020 CCDC User Group Meetings:
Register your place
CCDC user group meetings are an excellent opportunity to meet with your peers from across industry and academia and discuss the latest trends. A mix of invited speakers, product showcase and roadmap sessions ensure there is plenty new to learn and to have your say in future developments.
In 2020, we will be holding a European UGM and Science Day in June, here in Cambridge UK, and 2 meetings in the US in Boston and San Diego.
The US user group meeting in Boston on Friday 24th April, will be held at the Hotel Marlowe. The event will be wrapped with a networking reception from 4.30 pm.
To attend any of these meetings, please register your place below. Registration is free to attend for users of CCDC software suites.
CCDC will be attending The Pistoia Alliance 2020 Annual European Conference. The event is a great opportunity for its members to come together and discuss important developments across the pharma and life science R&D value chain.
The key themes to be discussed are the Lab of the Future, Artificial Intelligence, and Real-World Data.
ACS meetings attract thousands of chemical professionals that aim to share ideas and advance scientific and technical knowledge.
At the Spring meeting this year Suzanna Ward, Head of Database, and Ian Bruno, Head of Strategic Partnerships, will be co-chairing two sessions in the Symposium: Cultivating good data practices among chemists. Find out more.
Bio-IT World
April 21-23, Boston, USA
CCDC will be exhibiting at Bio-IT World Conference & Expo in Boston next April. The conference will have a focus on AI, data science and other “data-driven” technologies that are advancing biomedical research, drug discovery and healthcare. Find out more.
The Annual Drug Discovery Chemistry in 2020 includes coverage of RNA as a small molecule target, expanded coverage of artificial intelligence for early drug discovery, and short courses to choose from.
One Million Crystal Structures: a Wealth of Structural Chemistry Knowledge
This comprehensive report by Wendy Warr provides a summary of the many excellent talks from industry experts at a symposium held by the ACS Division of Chemical Information at the Fall ACS National Meeting in San Diego earlier this year.
The report contains a review of a range of topics around how crystal structure data, information and knowledge can be applied to areas such as medicinal chemistry, drug design, development of chemical products and materials engineering.
How Significant Are Unusual Protein–Ligand Interactions? Insights from Database Mining
This research presents a new approach to derive interaction propensities of protein–ligand atom pairs from mining of the Protein Data Bank. To ensure solid statistics, the scientists use a line-of-sight contact filter and normalise the observed frequency of hits by a statistical null model based on exposed surface areas of atom types in the protein–ligand binding site. This allows them to investigate which intermolecular interactions and geometries are found more often than expected by chance in protein–ligand complexes.
In the year that we hit one million structures in the CSD, we've been reflecting on the journey of the database since our last major milestone in 2015 where we celebrated 50 years of the CSD. We have made some of the presentation recordings from the CSD50 event available to watch again on demand. View the talks to hear from some well-known members of the community, as well as CCDC staff and alumni, on their thoughts and experiences of the CSD and structural science as a whole.
Scientists around the world have been celebrating the International Year of the Periodic Table. The CCDC have partnered with the British Crystallographic Association to celebrate the way we know best: with crystal structures! Throughout the year we highlighted an element in the Periodic Table with a crystal structure either including or related to that element. But this was only possible because of our great community of volunteers contributing their stories.
The IYPT in crystals contest aims to highlight all the volunteers that helped us publish the elements of the Periodic Table and give everyone a chance of becoming our IYPT in crystals winner. To enter the competition all you need to do is contribute an element page. To find out more about what is involved in entering click here.
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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