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This whitepaper details how GOLD, a comprehensively validated and widely used docking software, was used to perform a virtual screen on cloud resources.
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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!
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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 2022.2. Find out more about the latest data updates here.
Scientists want quick, precise, reproducible results, which can be achieved only with the best tools — and full flexibility. With the ...
This summer, four young scientists — Zena Younes, Hallam Greene, Maximillian Stanzione and Jaya Kumar-Mehay — joined the CCDC team to...
New initiative to create resources and increase engagement in crystallography and structural science. New grants to create crystallography and s...
42 years after the ligand synthesis @m_malischewski group has achieved the first metal complex of perfluorinated Cp* ring with Rh. Such a complex has remained elusive due to the electron deficiency of this Cp* ring.#FeaturedStructureFriday CSDEntry GERLAU https://t.co/O1RN73jTbe https://t.co/pUb1yvOEaX
16/09/2022 11:02
Customize and automate molecular analyses in a reproducible way, even integrating them with other tools, with the CSD Python API. Join our webinar on 22nd September, 4:00 pm BST / 11:00 am ET for tips, demos, + Q&A. 🔗https://t.co/l57IapZ8PL #cheminformatics #chemistswhocode https://t.co/p1zcmdEHbc
15/09/2022 4:54
Protein-ligand docking and other well-established pharmaceutical research techniques are being adopted by the agrochemicals industry to investigate new pesticides. 🔗Agrochemists are taking advantage of validated new molecule discovery techniques https://t.co/96TMVvFZgh https://t.co/ragys6DClx
14/09/2022 11:08
