CCDC

Watch Abhik Mukhopadyay, Research and Applications Scientist at CCDC, and learn how to create a ligand based screening workflow with CSD Discovery.

Create a ligand based screening workflow with CSD Discovery

Watch Abhik Mukhopadyay, Research and Applications Scientist at CCDC, to learn more about virtual screening and its methods.

How to use CSD-Discovery tools in ligand-based virtual screening?

Watch Abhik Mukhopadyay, Research and Applications Scientist at CCDC, do learn the difference between structure based and ligand based.

What's the difference between structure based and ligand based?

Do you have unpublished structures? You can publish them as a CSD Communication. In this video Kamila Orzechowska, Deposition Coordinator at the CCDC, presents what CSD Communications are, the advantages to publish your data in a database, and how to do it using our deposition services. You can read about CSD Communications on our website: https://www.ccdc.cam.ac.uk/Community/csd-communications/ https://www.ccdc.cam.ac.uk/Community/csd- communications/CSDCommunicationsInformation/ For more information about deposition, you can refer to the following resources: https://www.ccdc.cam.ac.uk/Community/depositastructure/ https://www.youtube.com/watch?v=bxDbLdNaJ7M

How to publish CSD Communications

This video helps you find specific entries in the CSD such as drugs, pesticides, MOFs or best representative structures by showing you how to use subsets in ConQuest. The demonstration includes how to load a subset, how to search structures at the intersection of two subsets (or two hitlists), and how to restrict a search to a chosen subset.

For more hands-on exercises with ConQuest, try the self-guided workshops in the educational resources area of our website: https://www.ccdc.cam.ac.uk/Community/educationalresources/workshop-materials/csd-system-workshops/
To learn more about ConQuest visit the webpage https://www.ccdc.cam.ac.uk/solutions/csd-system/Components/ConQuest/ 

This video was recorded by Cameron Wilson, during a summer placement at the CCDC.


How to use CSD Subsets in ConQuests

This video shows how to visualise the BFDH Morphology in Mercury, form the CSD-Materials menu. Some options are also highlighted. For more information, refer to the Mercury User Guide, available on our website: https://bit.ly/3hjx2Xq For self-guided workshops on Mercury and the CSD-Materials suite, visit: https://www.ccdc.cam.ac.uk/Community/educationalresources/workshop-materials/

CCDC

Home

Videos

Playlists

About

Keep up to date with all your favourite videos and channels.

Get personalised notifications on new releases and channel content by subscribing to the LabTube eNewsletter.