This whitepaper details how GOLD, a comprehensively validated and widely used docking software, was used to perform a virtual screen on cloud resources.
Recent webinars include custom feature creation in CSD-CrossMiner, 10 (or so) things you didn't know about Mercury, ultra-large docking; scaling GOLD, and more!
Upload your data for inclusion in the Cambridge Structural Database or the Inorganic Crystal Structure Database
View and retrieve structures in the Cambridge Structural Database
Available Now. The world's repository for small-molecule crystal structures. Download CSD 2022.1. Find out more about the latest data updates here.
Data is the backbone of geochemical research and its acquisition and use are central to our work. Over the last century, an ever-increasing volume of...
In this new CSD Educators blog, it is my pleasure to introduce Helen Maynard-Casely from Australian Nuclear Science and Technology Organisation (...
Cambridge Crystallographic Data Centre (CCDC), Cambridge, UK —15 March 2022 — The existence of various molecular arrangements that occur i...
By recent estimates, 85% of the human proteome is considered undruggable. But what if we're just not using the right approach? We examine what makes a protein "undruggable" and what strategies can be used against such targets.
#drugdesign #compchem https://t.co/Jg23PFNFu8
New blog from @Helen_e_m of @ANSTO on the #Erice2022 International School of Crystallography, including a workshop on high-pressure subsets within the #CSD.
#Crystallography #Cheminformatics https://t.co/DhfCprlr7u
A new class of molecular cages called cagearenes have been synthesised via the Friedel–Crafts reaction. #FeaturedStructureFriday CSD Entry: LEHGAK https://t.co/jXBEcxtT79 demonstrated ability to separate benzene and cyclohexane due to their different binding modes to the cage. https://t.co/ibosvDBEBB