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 2022.3. Find out more about the latest data updates here.
The CCDC is sponsoring the 34th Biennial Conference of the Society of Crystallographers in Australia and New Zealand (Crystal34).
The Molecular Complementarity component is used to assess the likelihood of two molecules forming a co-crystal. We have recently validated this approa...
Crystal Structure Prediction boundaries pushed beyond the pharmaceutical sector to areas such as electronics and photonics.
Seven structures of 2D sy...
This #WorldAIDSDay thank all the scientists who continue R&D in this space.
💡 This compound was developed by a team at Bristol Myers Squibb. By making structural changes they saw improved polymorphic coverage while conserving pharmacokinetics.
🔗 https://t.co/2pB1BTlbJY https://t.co/uhpbjfMV8z
Join the Boston and Southern California scientific communities for a free event about the application of machine learning to early-stage #drugdiscovery with Charlotte Deane, professor of Structural Bioinformatics at the University of Oxford.
Register: https://t.co/1zGWKZrBJG https://t.co/vz7AdT31OG
Full house for the Cambridge Cheminformatics Network and Digital Drug Discovery meeting - November 2022. Nice to see so many familiar faces. @AndreasBenderUK @matteoferla @nmsoftware @ChariteBerlin
#DrugDiscovery #ChemInformatics https://t.co/erPoz6atS7