• Image of Jason Cole

    Paper Spotlight; Structural Rugosity in Crystallisation

    The field of Crystal Structure Prediction (CSP) has grown dramatically over the last few decades, but today I want to highlight a recent paper which takes a new approach. The recent publication from Montis et al makes use of new informatics tools to assess surface roughness (rugosity) and proposes a relationship between this and ease of crystallisation. 

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  • Image of Carmen Nitsche

    New industry report asks - are we due a data revolution?

    With every challenge, there is opportunity. Looking into the vast challenge that is COVID-19 it can be difficult to see this, but the pandemic has forced us to contemplate new possibilities in all areas of life, including scientific research.

    The world turned to the pharmaceutical industry for help, and the variety of responses makes us question; how did some get ahead while others struggled?

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  • Image of Suzanna Ward

    The impact of COVID-19 on the CSD

    Since a pandemic was declared nearly 6 months ago we have been closely monitoring what impact this has had for our users, depositors and the Cambridge Structural Database (CSD). We thought it was about time we shared some of our observations and hopefully give you some positive news for a change.

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  • Image of Ilaria Gimondi

    CCDC Home Learning Collection

    Highlights and insights about our home-friendly activities for kids, towards the discovery of the wonders of crystals.

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  • Image of Seth Wiggin

    August 2020.2 CSD Data Update

    We are pleased to announce the August 2020 data update of the Cambridge Structural Database (CSD) is now available! This third data update of the year brings you an additional 12,269 new structures (12,694 new database entries) and increases the total size of the CSD to over 1,060,000 structures (1,080,000 entries), with 27,298 entries from journal articles published in 2020.

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  • Image of Seth Wiggin

    Classifying metal-organic frameworks MOFs for search and screening

    The recent cover of Chemical Science (issue 32) showcased a paper by Moghadam et al. highlighting our new approach to classifying MOF structures for better searching and high-throughput screening.

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  • Image of Carmen Nitsche

    An international Affair - CCDC holds second Virtual User Group Meeting!

    A few weeks ago we held our second virtual CCDC User Group meeting. While it was timed to best accommodate our community in the Pacific time zone, it was open to all.
    Our two primary themes revolved around:
    • Innovation in science education, with an emphasis on the remote learning strategies due to Covid-19
    • Data sharing and collaboration in drug discovery and development, whether down the hall or across the world

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  • Image of Jason Cole

    CCDC renewed partnership with University of Cambridge

    We are delighted to announce that we have renewed our partnership with the University of Cambridge as University Partner Institute. This agreement means CCDC will continue receiving and supporting graduate students with their studies and research in collaboration with the University of Cambridge.

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  • Image of Francis Atkinson

    KNIME Component Collection - new for 2020.2 release

    The 2020.2 CSD Release includes several new features - including our first CSD KNIME Component Collection.

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  • Image of Seth Wiggin

    Drugs, pesticides and COVID-19 drug subsets - new in 2020.2 release

    The 2020.2 CSD Release includes another 12,000+ CSD entries since the last data update in June and takes the total size of the CSD to over 1.08 million entries. Whilst this impressive rate of growth is testament to the ongoing efforts of scientists around the world, who publish and share the outcomes of their research with the community, the sheer size and diversity of structures in the CSD can be somewhat daunting.

    To help researchers investigate insights into particular categories of compounds, the 2020.2 CSD Release has extended the range of available subsets, with new lists of structures focused on drugs, pesticides and those structures that have been highlighted as being of interest in the fight against COVID-19. These new CSD subsets add to the existing subsets that include ‘best representative’ lists for statistical analysis of the CSD, subsets of metal-organic frameworks (MOFs) and CSD entries containing information on atomic anisotropic displacement parameters (ADPs; otherwise known as thermal ellipsoids).

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