ccdc.cam.ac.uk - Profile | ThreadSky | a Reddit-style client for Bluesky

📣Heading to the @acs.org Spring meeting? Join us in remembering Arnie Rheingold, an incredible scientist, crystallographer, mentor and a predominant figure who greatly influenced the contents of the #CSD. 📆 25th March 🔗 ccdc-info.com/430AwKe #ACSSpring2025 #ChemSky

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📣Upcoming Free Virtual Workshop! Register to learn how to assess the geometry of a molecule against the structures in the #CSD. 📆Tuesday 25th March ⏱️9:30 (GMT)/ 10:30 (CET)/ 17:30 (CST) 🔗 ccdc-info.com/4gcMwLg #DiscoveryScientists #CompChemSky

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💡Understand symmetry in #Crystallography! Learn the key concepts of symmetry in molecules before diving deeper into symmetry in crystals... plus access our resources and tools to help you visualize symmetry elements in a structure! 🔗 ccdc-info.com/3Qv95QX #iTeachChem #ChemSky #ChatChemistry

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We’re honouring the late George Sheldrick, whose SHELX suite revolutionized crystal structure determination. His earliest structure in the CSD: a mercury-cobalt carbonyl complex (1968). 🔗 CSD Entry FUYNAO: ccdc-info.com/4hXHcNQ #FeaturedStructureFriday #Crystallography #CompChemSky

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Don't miss this webinar with Daniel Cheney, former Scientific Director at BMS, where he will highlight the importance of developing a deep understanding of molecular structure and interactions in #DrugDesign. More info & registration 👉 attendee.gotowebinar.com/register/792... #CompChemSky

submitted 6 days ago • 0 comments

The Cambridge Structural Database has been updated with 20,653 structures. Just over half of these new structures are metal-organic structures that can be classified as coordination complexes and metal-organic frameworks (#MOFs). 🔗 ccdc-info.com/4h38ssO #Crystallography #CompChemSky #PorMatSky

submitted 7 days ago • 0 comments

💠What is a crystal & which crystals can you find in your home? 👀 Join us at @cambridgeuni.bsky.social Department of Chemistry on March 22nd for Crystal Adventures — engaging activities, tasty examples (like chocolate and sugar crystals), & fun games for the whole family! #iTeachChem #ChatChemistry

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Don't miss Fabio Montisci's presentation on Data-Driven PROTAC Conformer Ensemble Generation and Docking at the BMCS 2nd Conformational Design in Drug Discovery 2025. 📆 Monday 3rd March – @astrazeneca.bsky.social, Cambridge (UK) Find out more and register: ccdc-info.com/4hqdel0 #CompChemSky

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💊 50 new drugs were approved by the FDA throughout 2024. 👉Discover how many of these are small molecule drugs in the CSD, and find out more about the novel drug approval trends from the past 5 years. 🔗 ccdc-info.com/3CT7zVV #PharmaceuticalDiscovery #FDA #ChemSky

submitted 9 days ago • 0 comments

The CCDC team are saddened to learn that George Sheldrick has passed away. His impact in #Crystallography was immense; from the SHELX software used globally, to teaching, structures, journals, and more. More by the ECA here: ccdc-info.com/41gvV3M

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Find out how scaffold hopping was used as an alternative to the experimental approaches presented in the literature in three test cases. 🔗 ccdc-info.com/3QrTD8s #DrugDiscovery #ChemistryData #CompChemSky

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Researchers in the Ghosh research group have reported the first closo-titanaboranes having bridging hydrides in @chemcomm.rsc.org. Ti…Ti interactions play a pivotal role in defining their shapes and electron counts. 🔗 CSD Entry CUKHID: ccdc-info.com/4b5smCe #FeaturedStructureFriday #CompChemSky

submitted 12 days ago • 0 comments

💡What happens to your structure after you deposit it in the CSD? Follow the journey of a new #CSD entry and learn how we curate your structural data to adhere to the FAIR Data Principles and maintain the standards of the database. 🔗 ccdc-info.com/3EMEFHn #Crystallography #CompChemSky

submitted 12 days ago • 0 comments

We're hiring an Executive Director to lead the centre and help us to advance structural science for the public benefit. See full details of the role here: ccdc-info.com/3CZ7Fv3 Please share with your network! #Hiring #CompChemSky #ChemSky

submitted 12 days ago • 0 comments

🙌It was exciting to see the CCDC filled with scientists, PhD students, and pharmaceutical leaders again for the Cambridge Cheminformatics Meeting yesterday. They shared and discussed recent scientific advances in #DrugDiscovery. 🔗 ccdc-info.com/3X8Gy7y #Pharma #CompChemSky

submitted 13 days ago • 0 comments

✨Thank you to the @kent.ac.uk and Dr Helena Shepherd for hosting our talk on 'Harnessing the Cambridge Structural Database in Research and Writing'. The session by Kevin Back, Product Manager at The CCDC, showed students how to make the most of structural data in academic projects.

submitted 14 days ago • 0 comments

Join our upcoming free virtual workshop to learn more about the CSD Python API and how to use the #CSD programmatically to control complex analysis processes, including automated workflows. 📆Tuesday 11th March ⏱️16:00 (GMT)/ 17:00 (CET)/ 12:00 (ET) 🔗 ccdc-info.com/3E8RVG8 #CompChemSky

submitted 15 days ago • 0 comments

Thank you to Yongchul Chung, professor in the Department of Chemical and Biomolecular Engineering at Pusan National University, for his insightful presentation at the CCDC yesterday about the changes in the #MOF database over the past 10 years. #MOFeed #PorMatSky #MaterialsScience

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This recent work in healing wounds infected by bacteria uses #MOFs for their advantageous properties in biocompatibility, drug delivery & tissue regeneration. Zirconium-based MOF hydrogels were designed, & showed a 93% healing ratio in just 2 weeks.✨ 🔗 ccdc-info.com/4gCduwf #MOFeed #PorMatSky

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A one-step synthesis for unsymmetrical perarylated borirenes using boroles and diynes is reported in Angewandte Chemie. CSD Entry CUHYIR confirms the formation of a three-membered boracycle stabilized by π-delocalization. 🔗 ccdc-info.com/4jPTJ7j #FeaturedStructureFriday #CompChemSky

submitted 19 days ago • 0 comments

Showcase and validate your skills in using structural chemistry data & software with our new LinkedIn badges! 🎖️Awarded when you complete the Visualization, Protein–Ligand Docking, or Pharmacophore Searching 101 CSDU modules. 🔗 ccdc-info.com/41a4ycP #CompChemSky #ChemSky

submitted 19 days ago • 0 comments

Don't miss this webinar for a sneak peek 👀 of the upcoming addition of validated #Disorder models in the CSD. Disordered assemblies will be easily visualized & used with key features of Mercury. 📅 20th March - 4pm (GMT) 🔗 attendee.gotowebinar.com/register/828... #StructuralChemistry #CompChemSky

submitted 20 days ago • 0 comments

@ccdc.cam.ac.uk Excellent webinar this afternoon led by CCDC of ICDD, ICSD and PDB in discussion of the next 60 years of structural data and databases. A very wide ranging discussion! More webinars are planned to form a Series. Great! @glazer1.bsky.social

submitted 21 days ago • 0 comments

Nominations are open for this years CCG- @ccdc.cam.ac.uk Chemical Crystallography Prize for Younger Scientists, more details here: ccg.crystallography.org.uk/young-crysta... Please spread the word! 💎🔬🏆

submitted 21 days ago • 1 comment

This fantastic article from Aurora J. Cruz-Cabeza explores her route to chemistry, predictions for the future of the field, & her tips to include and support women scientists. #Chemistry #Crystallography #WomenInChemistry

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This recent review explores the use of metal organic frameworks when treating pulmonary diseases. The use of #MOFs in inhalation therapies has been found to reduce the frequency of administration and lengthen the time between doses.✔️ 🔗 ccdc-info.com/3WtSMYh #MOFeed #PorMatSky

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Join CCDC Deposition Coordinator, Cian Dingle, for a presentation on the TRUST Principles and the CoreTrustSeal guidelines in the context of the CSD. 📆5-6 March, Edinburgh Research Data in the Physical Sciences 🔗 lnkd.in/ej8U6F5x #DataScience @psdi-uk.bsky.social

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📢 Calling for Papers! The deadline is the 5th of March. Visit icdd.com/ppxrd

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💡Research shows that about 85% of the marketed drugs have more than one crystalline forms. Learn why this value is concerning and why #Polymorphism is still a major risk that #Pharma companies must understand and mitigate. 🔗 ccdc-info.com/3WSMhhM #DrugDiscovery #ChemSky

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The next Cambridge Cheminformatics Meeting is open for registration! 📅 February 19th, via Zoom or in our offices (Cambridge UK) Details and registrations here: c-inf.net #Cheminformatics #DigitalFirst #CompChemSky

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Published by @wengeroliver.bsky.social and team, a series of photoluminescent Mo(0) complexes that represent abundant alternatives to commercial Ir(iii) species and catalyse photochemical reduction reactions. 🔗CSD Entry VUNLAV: ccdc-info.com/4gtEDBv #FeaturedStructureFriday #CompChemSky

submitted 26 days ago • 0 comments

📚Are you a chemistry student who is struggling to understand #Symmetry in #Crystallography? This 3-step approach will guide you in understanding the concept of symmetry and help you to visualize symmetry in molecules & crystals. 🔗 ccdc-info.com/3CEmrXU #ChemEducation #iTeachChem #ChatChemistry

submitted 27 days ago • 0 comments

The 'Advanced Materials Search Tool for CCP-NC - Planning Workshop' brought together experts from the computational chemistry and materials science communities -CCP-NC, @ccdc.cam.ac.uk, & PSDI - to discuss best practices & future developments in cheminformatics for solid-state NMR crystallography.

submitted 27 days ago • 1 comment

Don't miss this webinar on a combined approach, using experiments, informatics, and energetic calculations, that was used to analyse four competing polymorphs of a myeloperoxidase (MPO) inhibitor. 🗓️ 13 Feb - 15:00 (GMT) 🔗 ccdc-info.com/4g7PIbn #SolidFormInformatics #CompChemSky

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👀Here we demonstrate two solid form informatics methods to compare polymorph packing, and how to interpret the results. 🔗 ccdc-info.com/4h7ORZ7 #Cheminformatics #SolidForms #CompChemSky

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In this new @pubs.acs.org Crystal Growth & Design article, researchers modify acenes by introducing methylthio groups at the end positions, causing a brickwork structure — one of the more promising #CrystalStructures of organic #SemiConductors for use in electronic devices. 🔗 ccdc-info.com/3E3iP25

submitted 30 days ago • 0 comments

💡The #FDA approved 50 new drugs in 2024, 64% of which were #SmallMolecules. Find out more about the novel drug approval trends from the past 5 years and discover the structures of the small molecule drugs that are in the CSD 👉🔗 ccdc-info.com/3WIJWWz #Pharmaceuticals #ChemSky #BlueskyBiotech

submitted 33 days ago • 0 comments

The isolation of a planar pi-aromatic Bi5- ring in a cobalt-based inverse-sandwich-type complex has been reported in @naturechemistry.bsky.social. CSD entry VUPBOB contains the heaviest analogue of the Cp anion synthesized. 🔗 ccdc-info.com/4jxEzDt #FeaturedStructureFriday #CompChemSky

submitted 33 days ago • 0 comments

The CCDC is running a free workshop on how to access their (beautifully curated) databases using Python in March. Possibly of interest to #ChemEd people - lots of discussions recently about where we can meaningfully teach coding. #ChemSky #iTeachChem www.ccdc.cam.ac.uk/community/ev...

submitted 42 days ago • 1 comment

📣Looking for new, engaging ways to explain #StructuralChemistry concepts to your students? Discover this free teaching resource to introduce them to optical isomerism and chirality starting from everyday objects, like hands and screws. Watch here🔗 ccdc-info.com/3LSr9CT #iTeachChem #ChatChemistry

submitted 34 days ago • 1 comment

Sustainability, data, and infrastructure are just 3 of the 7 areas we discuss in this free e-book on #AI for Chemical Discovery 👉 www.ccdc.cam.ac.uk/white-paper-...

submitted 35 days ago • 0 comments

The melting point of PEG polymer was increased by 30°C with rational co-crystal design, using solid form informatics methods to identify the best substitutions. ✅ Read the full story here🔗: ccdc-info.com/425hEcw #MaterialsDesign #Cheminformatics #Polymers #ChemSky #CompChemSky

submitted 35 days ago • 0 comments

📣Registrations are now open for our Free Virtual Workshops! Learn how to access & search structural chemistry data, understand the intramolecular geometry of the molecules in your structures, and explore & visualize structures in the CSD. 🔗 ccdc-info.com/4jfmMAP #CompChemSky #StructuralChemistry

submitted 35 days ago • 0 comments

Will the data you collect today still be useful in 60 years? Hear from leaders at the top global databases to learn what strategies they're setting for #structuralbiology #structuralchemistry and #bigdata Sign up: attendee.gotowebinar.com/register/736... @rcsbpdb.bsky.social @icdd.bsky.social

submitted 37 days ago • 0 comments

Join Ian Bruno for a free online session on FAIR data principles in Computational Materials Science and Chemistry, organised by Ghent University as part of the Love Data Week 2025 @icpsr.bsky.social. 📆 13th February, 14:00–16:00 (CET) 🔗 ccdc-info.com/4h1exH4 #LoveData25 #CompChemSky

submitted 42 days ago • 0 comments

Did you know that we provide lesson guides, videos, worksheets, and more to support teaching in chemistry?🍎 Find our guide to symmetry operations and point groups, plus many others, here: ccdc-info.com/3z2k6nT #TeachSTEM #Chemistry #ChemSky #iTeachChem #ChatChemistry 🧪

submitted 42 days ago • 0 comments

Check out page 62 for info on the latest CSD updates, our recent blogs, and save the dates for some exciting CCDC events coming soon!👀

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🐊 This bioinspired membrane structure was shown to improve the MOFs propylene/propane separation performance. 👉🔗 ccdc-info.com/4h2DNg3 @naturecomms.bsky.social #MetalOrganicFrameworks #PorousMaterials #PorMatSky

submitted 43 days ago • 0 comments