CCDC Cambridge
@ccdc.cam.ac.uk
The CCDC is a non-profit, charitable institution focused on the advancement & promotion of chemistry & crystallography.
Website: https://www.ccdc.cam.ac.uk/
Website: https://www.ccdc.cam.ac.uk/
📣Explore how federated learning and secure data sharing can improve pharma manufacturing efficiency.
👉A data-driven approach to boosting productivity & model development, using the CCDC web platform to enable collaboration while protecting proprietary data.
🔗Sign up: ccdc-info.com/49TjEYy
#ChemSky
👉A data-driven approach to boosting productivity & model development, using the CCDC web platform to enable collaboration while protecting proprietary data.
🔗Sign up: ccdc-info.com/49TjEYy
#ChemSky
January 14, 2026 at 4:17 PM
📣Explore how federated learning and secure data sharing can improve pharma manufacturing efficiency.
👉A data-driven approach to boosting productivity & model development, using the CCDC web platform to enable collaboration while protecting proprietary data.
🔗Sign up: ccdc-info.com/49TjEYy
#ChemSky
👉A data-driven approach to boosting productivity & model development, using the CCDC web platform to enable collaboration while protecting proprietary data.
🔗Sign up: ccdc-info.com/49TjEYy
#ChemSky
Just published in Structural Chemistry, CCDC scientists have benchmarked general-purpose force fields that have been recently implemented in CCDC software suites.
🔗 ccdc-info.com/4aXuvBW
#Chemistry #Crystallography
🔗 ccdc-info.com/4aXuvBW
#Chemistry #Crystallography
January 13, 2026 at 5:09 PM
Just published in Structural Chemistry, CCDC scientists have benchmarked general-purpose force fields that have been recently implemented in CCDC software suites.
🔗 ccdc-info.com/4aXuvBW
#Chemistry #Crystallography
🔗 ccdc-info.com/4aXuvBW
#Chemistry #Crystallography
Reported in @chemicalscience.rsc.org ultrastiff crystals of mucic acid.
Inspired by previous reports of high density, this work reveals a high Young’s modulus and hardness due to the extensive hydrogen bonding network.
🔗 CSD Entry BIVTUV02: dx.doi.org/10.5517/ccdc...
#FeaturedStructureFriday
Inspired by previous reports of high density, this work reveals a high Young’s modulus and hardness due to the extensive hydrogen bonding network.
🔗 CSD Entry BIVTUV02: dx.doi.org/10.5517/ccdc...
#FeaturedStructureFriday
January 9, 2026 at 2:43 PM
Reported in @chemicalscience.rsc.org ultrastiff crystals of mucic acid.
Inspired by previous reports of high density, this work reveals a high Young’s modulus and hardness due to the extensive hydrogen bonding network.
🔗 CSD Entry BIVTUV02: dx.doi.org/10.5517/ccdc...
#FeaturedStructureFriday
Inspired by previous reports of high density, this work reveals a high Young’s modulus and hardness due to the extensive hydrogen bonding network.
🔗 CSD Entry BIVTUV02: dx.doi.org/10.5517/ccdc...
#FeaturedStructureFriday
This study benchmarks how well current computational methods predict different polymorphs of the drug sulfamerazine, highlighting why closely related polymorphs are especially hard to model, and how predictions can be improved.✔️
🔗 ccdc-info.com/4slabke
#CrystalStructures #CSP
🔗 ccdc-info.com/4slabke
#CrystalStructures #CSP
January 7, 2026 at 1:38 PM
This study benchmarks how well current computational methods predict different polymorphs of the drug sulfamerazine, highlighting why closely related polymorphs are especially hard to model, and how predictions can be improved.✔️
🔗 ccdc-info.com/4slabke
#CrystalStructures #CSP
🔗 ccdc-info.com/4slabke
#CrystalStructures #CSP
📣Join this webinar to learn about three scripts first developed within the Crystal Form Consortium (CFC):
✔️High Z′ Hydrogen Bond Propensity
✔️Interaction Analysis
✔️Void Network
Register now: ccdc-info.com/3MUAEVw
#ParticleInformatics #Pharmaceuticals #CrystalEngineering
✔️High Z′ Hydrogen Bond Propensity
✔️Interaction Analysis
✔️Void Network
Register now: ccdc-info.com/3MUAEVw
#ParticleInformatics #Pharmaceuticals #CrystalEngineering
January 6, 2026 at 10:57 AM
📣Join this webinar to learn about three scripts first developed within the Crystal Form Consortium (CFC):
✔️High Z′ Hydrogen Bond Propensity
✔️Interaction Analysis
✔️Void Network
Register now: ccdc-info.com/3MUAEVw
#ParticleInformatics #Pharmaceuticals #CrystalEngineering
✔️High Z′ Hydrogen Bond Propensity
✔️Interaction Analysis
✔️Void Network
Register now: ccdc-info.com/3MUAEVw
#ParticleInformatics #Pharmaceuticals #CrystalEngineering
Happy New Year! Did you celebrate with fireworks? Our first #FeaturedStructureFriday of the year is potassium hydrogen terephthalate, an additive used in fireworks to create a whistling effect.
www.ccdc.cam.ac.uk/services/str....
www.ccdc.cam.ac.uk/services/str....
January 2, 2026 at 2:36 PM
Happy New Year! Did you celebrate with fireworks? Our first #FeaturedStructureFriday of the year is potassium hydrogen terephthalate, an additive used in fireworks to create a whistling effect.
www.ccdc.cam.ac.uk/services/str....
www.ccdc.cam.ac.uk/services/str....
Season’s Greetings from the CCDC! This week, we’re featuring the terpene alpha-pinene, one of the molecules responsible for the classic aroma of Christmas trees.
🔗 CSD Entry ACIFEX: dx.doi.org/10.5517/cc5x...
#FeaturedStructureFriday #ChemSky
🔗 CSD Entry ACIFEX: dx.doi.org/10.5517/cc5x...
#FeaturedStructureFriday #ChemSky
December 19, 2025 at 3:49 PM
Season’s Greetings from the CCDC! This week, we’re featuring the terpene alpha-pinene, one of the molecules responsible for the classic aroma of Christmas trees.
🔗 CSD Entry ACIFEX: dx.doi.org/10.5517/cc5x...
#FeaturedStructureFriday #ChemSky
🔗 CSD Entry ACIFEX: dx.doi.org/10.5517/cc5x...
#FeaturedStructureFriday #ChemSky
The holiday season is here, and we wish you all a wonderful time!
The CCDC staff will be taking some time off over the next few weeks. Response times may be longer than usual, but please be patient, we’ll get back to you as quickly as possible.
Thank you for being part of our community.💛
The CCDC staff will be taking some time off over the next few weeks. Response times may be longer than usual, but please be patient, we’ll get back to you as quickly as possible.
Thank you for being part of our community.💛
December 18, 2025 at 2:14 PM
The holiday season is here, and we wish you all a wonderful time!
The CCDC staff will be taking some time off over the next few weeks. Response times may be longer than usual, but please be patient, we’ll get back to you as quickly as possible.
Thank you for being part of our community.💛
The CCDC staff will be taking some time off over the next few weeks. Response times may be longer than usual, but please be patient, we’ll get back to you as quickly as possible.
Thank you for being part of our community.💛
Understand protein-peptide interactions by molecular docking with GOLD 🌟
✔️Summary of GOLD for pose prediction and virtual screening
✔️Peptide docking methods and recommended scoring functions
🔗 ccdc-info.com/4oZ3nWh
#CompChemSky
✔️Summary of GOLD for pose prediction and virtual screening
✔️Peptide docking methods and recommended scoring functions
🔗 ccdc-info.com/4oZ3nWh
#CompChemSky
December 17, 2025 at 12:00 PM
Understand protein-peptide interactions by molecular docking with GOLD 🌟
✔️Summary of GOLD for pose prediction and virtual screening
✔️Peptide docking methods and recommended scoring functions
🔗 ccdc-info.com/4oZ3nWh
#CompChemSky
✔️Summary of GOLD for pose prediction and virtual screening
✔️Peptide docking methods and recommended scoring functions
🔗 ccdc-info.com/4oZ3nWh
#CompChemSky
📣A shout-out to the amazing organizers of recent events!
Thank you for inviting us to join your meetings, creating fantastic opportunities for students and early-career researchers to explore the CSD and share their discoveries.
👉 Our upcoming events: ccdc-info.com/3MCm5pq
#ChemSky
Thank you for inviting us to join your meetings, creating fantastic opportunities for students and early-career researchers to explore the CSD and share their discoveries.
👉 Our upcoming events: ccdc-info.com/3MCm5pq
#ChemSky
December 16, 2025 at 11:38 AM
📣A shout-out to the amazing organizers of recent events!
Thank you for inviting us to join your meetings, creating fantastic opportunities for students and early-career researchers to explore the CSD and share their discoveries.
👉 Our upcoming events: ccdc-info.com/3MCm5pq
#ChemSky
Thank you for inviting us to join your meetings, creating fantastic opportunities for students and early-career researchers to explore the CSD and share their discoveries.
👉 Our upcoming events: ccdc-info.com/3MCm5pq
#ChemSky
Learn how to compare coordination polymers and examine porosity in #MOFs in this self-guided workshop. 📖
Find step by step instructions and examples.
🔗 ccdc-info.com/4puNBDD
More self-guided workshops can be found here 👉 ccdc-info.com/4atBSkr
#CompChemSky
Find step by step instructions and examples.
🔗 ccdc-info.com/4puNBDD
More self-guided workshops can be found here 👉 ccdc-info.com/4atBSkr
#CompChemSky
December 15, 2025 at 1:55 PM
Learn how to compare coordination polymers and examine porosity in #MOFs in this self-guided workshop. 📖
Find step by step instructions and examples.
🔗 ccdc-info.com/4puNBDD
More self-guided workshops can be found here 👉 ccdc-info.com/4atBSkr
#CompChemSky
Find step by step instructions and examples.
🔗 ccdc-info.com/4puNBDD
More self-guided workshops can be found here 👉 ccdc-info.com/4atBSkr
#CompChemSky
The synthesis of a semitubular molecule comprising two [8]circulene moieties has been reported in @jacs.acspublications.org.
CSD entry UTIJUG exhibits an excellent match to the substructure of Schwarzite P192.
🔗 dx.doi.org/10.5517/ccdc....
#FeaturedStructureFriday #CompChemSky
CSD entry UTIJUG exhibits an excellent match to the substructure of Schwarzite P192.
🔗 dx.doi.org/10.5517/ccdc....
#FeaturedStructureFriday #CompChemSky
December 12, 2025 at 4:02 PM
The synthesis of a semitubular molecule comprising two [8]circulene moieties has been reported in @jacs.acspublications.org.
CSD entry UTIJUG exhibits an excellent match to the substructure of Schwarzite P192.
🔗 dx.doi.org/10.5517/ccdc....
#FeaturedStructureFriday #CompChemSky
CSD entry UTIJUG exhibits an excellent match to the substructure of Schwarzite P192.
🔗 dx.doi.org/10.5517/ccdc....
#FeaturedStructureFriday #CompChemSky
It's the most wonderful time of the year — #CSDPacked is here! New for 2025 to celebrate 60 years of the CSD.🎉
Get a personalized summary of your published crystal structures from Oct24-Oct25.
Just ask us "What's my #CSDPacked @ccdc.cam.ac.uk?" and tell us your publishing name.
#MoveOverSpotify
Get a personalized summary of your published crystal structures from Oct24-Oct25.
Just ask us "What's my #CSDPacked @ccdc.cam.ac.uk?" and tell us your publishing name.
#MoveOverSpotify
December 8, 2025 at 9:44 AM
It's the most wonderful time of the year — #CSDPacked is here! New for 2025 to celebrate 60 years of the CSD.🎉
Get a personalized summary of your published crystal structures from Oct24-Oct25.
Just ask us "What's my #CSDPacked @ccdc.cam.ac.uk?" and tell us your publishing name.
#MoveOverSpotify
Get a personalized summary of your published crystal structures from Oct24-Oct25.
Just ask us "What's my #CSDPacked @ccdc.cam.ac.uk?" and tell us your publishing name.
#MoveOverSpotify
A novel photocycloaddition enabled by a Ga(I)/Ga(III) redox cycle under visible light is reported in @jacs.acspublications.org.
CSD Entry XUXSOC demonstrates a seven-membered Ga-heterocycle where two isocyanide units are inserted into Ga–C bonds.
🔗 ccdc-info.com/44G1SVK
#FeaturedStructureFriday
CSD Entry XUXSOC demonstrates a seven-membered Ga-heterocycle where two isocyanide units are inserted into Ga–C bonds.
🔗 ccdc-info.com/44G1SVK
#FeaturedStructureFriday
December 5, 2025 at 11:13 AM
A novel photocycloaddition enabled by a Ga(I)/Ga(III) redox cycle under visible light is reported in @jacs.acspublications.org.
CSD Entry XUXSOC demonstrates a seven-membered Ga-heterocycle where two isocyanide units are inserted into Ga–C bonds.
🔗 ccdc-info.com/44G1SVK
#FeaturedStructureFriday
CSD Entry XUXSOC demonstrates a seven-membered Ga-heterocycle where two isocyanide units are inserted into Ga–C bonds.
🔗 ccdc-info.com/44G1SVK
#FeaturedStructureFriday
Introducing #CSDPacked 🎉 New for 2025, marking 60 years of the CCDC & CSD.
All next week you are able to get a personalized summary of your published crystal structures from Oct24-Oct25.
👀This is the #CSDPacked for CCDC's Research and Applications Scientist, Pablo, as a sneak peek before Monday!
All next week you are able to get a personalized summary of your published crystal structures from Oct24-Oct25.
👀This is the #CSDPacked for CCDC's Research and Applications Scientist, Pablo, as a sneak peek before Monday!
December 4, 2025 at 2:20 PM
Introducing #CSDPacked 🎉 New for 2025, marking 60 years of the CCDC & CSD.
All next week you are able to get a personalized summary of your published crystal structures from Oct24-Oct25.
👀This is the #CSDPacked for CCDC's Research and Applications Scientist, Pablo, as a sneak peek before Monday!
All next week you are able to get a personalized summary of your published crystal structures from Oct24-Oct25.
👀This is the #CSDPacked for CCDC's Research and Applications Scientist, Pablo, as a sneak peek before Monday!
The new interaction networks functionality uses intermolecular interactions to construct Periodic Bond Chains (PBCs).
Use to explain the relationship between crystal structure and crystal growth or to aid the interpretation of other properties of a crystal structure.
🔗 ccdc-info.com/4poiadO
Use to explain the relationship between crystal structure and crystal growth or to aid the interpretation of other properties of a crystal structure.
🔗 ccdc-info.com/4poiadO
December 4, 2025 at 12:55 PM
The new interaction networks functionality uses intermolecular interactions to construct Periodic Bond Chains (PBCs).
Use to explain the relationship between crystal structure and crystal growth or to aid the interpretation of other properties of a crystal structure.
🔗 ccdc-info.com/4poiadO
Use to explain the relationship between crystal structure and crystal growth or to aid the interpretation of other properties of a crystal structure.
🔗 ccdc-info.com/4poiadO