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.
We recently hosted our 2021 Discovery Science Conference: High-performance data meets high-performance computing. Over the course of the two-day event, leading researchers discussed how drug discovery continues to evolve – with data-driven approaches answering more questions than ever about novel and improved active pharmaceutical ingredients (APIs). Here are some of our key takeaways.
The past year has pushed the importance and challenges of scientific discovery into the spotlight. What lessons can we learn, and what changes can scientific leaders make going forward? In a virtual "fireside chat" the leaders of the CCDC and the RCSB PDB explored this topic, and we share some key learnings from the discussion here.
Registration opened today for the 7th CSP Blind Test - the leading challenge in crystal structure prediction. In 1988 Nature editor John Maddox called it "one of the continuing scandals in the physical sciences" that we could not take a 2D molecular structure and predict it's 3D form. This particular puzzle in computational science continues to challenge some of the best practitioners and developers of computational chemistry. Although tech giants have been turning their hand to scientific problems like protein folding, CSP is a very different kind of problem, and might just be a tougher nut to crack.
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?