Blog - The Cambridge Crystallographic Data Centre (CCDC)

Our approach to the FAIR Data Principles

Sophie Bryant – Tue, 28 Sep 2021 16:57:00 GMT

The FAIR Data Principles stand for findability, accessibility, interoperability, and reusability of data for both humans and machines. Here we highlight a few ways CCDC supports the FAIR Data Principles.

CSD in Action: achieving the largest possible mobility of organic semiconductors

Ioana Sovago – Fri, 17 Sep 2021 19:17:00 GMT

Here we highlight a paper by researchers at the University of Liverpool and Università di Siena who used the Cambridge Structural Database (CSD) to identify a set of promising compounds for use in semiconductors and a new tool for discovering materials with electronic properties. This is part of our series highlighting examples of the Cambridge Crystallographic Data Centre (CCDC) tools in action by scientists around the world.

CSD Data update September 2021

Paul McKeown – Wed, 08 Sep 2021 13:08:00 GMT

We are pleased to announce the September 2021 data update of the Cambridge Structural Database (CSD) is now available! This data update brings you 16,688 new organic and metal-organic experimentally determined structures (17,283 new entries) and increases the total size of the CSD to over 1,129,000 structures (1,152,000 entries).

Behind the scenes of the CSP Blind Test

Lily Hunnisett – Tue, 24 Aug 2021 17:11:00 GMT

How many groups took part in the first challenge of the 7th CSP Blind Test? What kind of experimental work goes on behind the scenes? Read on for answers, and an interesting Q&A with a team from Catalent. Catalent is a development and manufacturing partner that has provided the high-quality experimental data for this test of crystal structure prediction (CSP) methods.

Happy 50th anniversary to our friends at the PDB!

Ashley Moreno – Fri, 13 Aug 2021 14:39:00 GMT

This year the CCDC and the Protein Data Bank (PDB) are hosting a day-long symposium at the American Chemical Society’s (ACS) Fall 2021 meeting. The conference theme is “the resiliency of chemistry,” and our symposium focuses on understanding enzyme function in 3D.

Will electron diffraction revolutionize drug development?

Ashley Moreno – Wed, 28 Jul 2021 14:42:00 GMT

Q&A with Dr Jessica Bruhn, Scientific Group Leader - MicroED at NanoImaging Services about a new advancement in drug development

Microcrystal electron diffraction (MicroED or 3D ED) uses a beam of electrons rather than X-rays to obtain structures. In a recent paper, a team of researchers led by NanoImaging Services presented a new advancement in drug development using electron diffraction for when X-ray diffraction (XRD) may not be an option. In this blog, we talk with author Dr Jessica Bruhn, Scientific Group Leader - MicroED at NanoImaging Services about the team’s findings.

Celebrating 10 years of Structure Factors at the CCDC

Natalie Johnson – Mon, 28 Jun 2021 14:09:00 GMT

This month marks 10 years since the CCDC began formally accepting experimental structure factor data alongside crystallographic information files (CIFs) for deposition of structures to the CSD. The change came about following the lead and advice of the International Union of Crystallography (IUCr), whose journals have long required authors to provide structure factor data for published crystal structures. Structure factors, as well as other experimental information, are important as they can be used to describe the distribution of electron density in the structure and enable users to further validate a structural model. This also helps make your data more FAIR (Findable, Accessible, Interoperable and Reusable).

Celebrating the 1.1 millionth structure

Paul McKeown – Mon, 01 Feb 2021 16:33:00 GMT

Last week, the Cambridge Structural Database (CSD) has passed a total of 1,100,000 unique crystal structures within the database, marking the first milestone on the way to 2,000,000 structures! It wasn’t too long ago we were celebrating reaching 1 million structures (just 20 months!) and despite a year of global challenges and difficulties we are excited to start 2021 with this new achievement. A massive thank you to everyone who has contributed, not only to this feat, but to the continual growth of the CSD.

Our core values helping us through challenging times

Maggie Brown – Thu, 03 Dec 2020 11:29:00 GMT

We are living in unprecedented times. The COVID-19 pandemic has changed all of our lives, and we are beginning to understand what it means for how we live and work. With a new year on our doorstep, we look at what we have achieved in the past months and consider our plans for the future.

Blog database

Our approach to the FAIR Data Principles

CSD in Action: achieving the largest possible mobility of organic semiconductors

CSD Data update September 2021

Behind the scenes of the CSP Blind Test

Happy 50th anniversary to our friends at the PDB!

Will electron diffraction revolutionize drug development?

Celebrating 10 years of Structure Factors at the CCDC

Celebrating the 1.1 millionth structure

Our core values helping us through challenging times

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