Highly recommended 9-part tutorial by BrunoVilloutreix on a large array of capabilities of the free and open-source cheminformatics platform #DataWarrior.
Watch it here, https://youtu.be/HLMko3whhAI?si=i4VhNGcuxv7lybQS.
In total, the nine parts sum up to 85 minutes. Great time invested if you want to learn how to perform cheminformatics in DataWarrior or even to get an exquisite primer into common cheminformatics activities.
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To all medicinal & computational chemists and cheminformaticians!
Last date to apply for the upcoming Cache Challenge #7, an initiative of Conscience, is next Tuesday, 16 September 2025.
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To accelerate advancements in drug discovery, Alipheron provides academic and non-profit researchers with complimentary access to 𝗛𝘆𝗽𝗲𝗿𝘀𝗽𝗮𝗰𝗲 𝗦𝗲𝗮𝗿𝗰𝗵. This is our blazingly fast software for 𝗽𝗿𝗲𝗰𝗶𝘀𝗲 𝘀𝘂𝗯𝘀𝘁𝗿𝘂𝗰𝘁𝘂𝗿𝗲 𝗮𝗻𝗱 𝘀𝘁𝗿𝘂𝗰𝘁𝘂𝗿𝗲 𝘀𝗶𝗺𝗶𝗹𝗮𝗿𝗶𝘁𝘆 𝘀𝗲𝗮𝗿𝗰𝗵𝗶𝗻𝗴 𝗶𝗻 𝘂𝗹𝘁𝗿𝗮-𝗹𝗮𝗿𝗴𝗲 𝗰𝗵𝗲𝗺𝗶𝗰𝗮𝗹 𝘀𝗽𝗮𝗰𝗲𝘀. For more details on Hyperspace Search, see https://www.alipheron.com/products/hyperspace/.
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𝗗𝗮𝘁𝗮𝗪𝗮𝗿𝗿𝗶𝗼𝗿 𝘃𝟲.𝟱 𝗶𝘀 𝗿𝗲𝗹𝗲𝗮𝘀𝗲𝗱 𝘄𝗶𝘁𝗵 𝘀𝗶𝗴𝗻𝗶𝗳𝗶𝗰𝗮𝗻𝘁 𝘂𝗽𝗱𝗮𝘁𝗲𝘀 𝗮𝗻𝗱 𝗶𝗺𝗽𝗿𝗼𝘃𝗲𝗺𝗲𝗻𝘁𝘀!
𝗞𝗲𝘆 𝗘𝗻𝗵𝗮𝗻𝗰𝗲𝗺𝗲𝗻𝘁𝘀 🧬
The quality of structures loaded from 𝗣𝗗𝗕 𝗳𝗶𝗹𝗲𝘀 𝗮𝗻𝗱 𝘁𝗵𝗲 𝗣𝗗𝗕 𝗱𝗮𝘁𝗮𝗯𝗮𝗻𝗸 𝗵𝗮𝘀 𝗯𝗲𝗲𝗻 𝘀𝘂𝗯𝘀𝘁𝗮𝗻𝘁𝗶𝗮𝗹𝗹𝘆 𝗶𝗺𝗽𝗿𝗼𝘃𝗲𝗱. A major addition is the 𝗻𝗲𝘄 𝘀𝘂𝗽𝗽𝗼𝗿𝘁 𝗳𝗼𝗿 𝘁𝗵𝗲 𝗺𝗺𝗖𝗜𝗙 𝗳𝗶𝗹𝗲 𝗳𝗼𝗿𝗺𝗮𝘁, both from local files and the PDB databank. Complementing this, the 𝗱𝗶𝘀𝗽𝗹𝗮𝘆 𝗮𝗻𝗱 𝗵𝗮𝗻𝗱𝗹𝗶𝗻𝗴 𝗼𝗳 𝟯𝗗 𝘀𝘁𝗿𝘂𝗰𝘁𝘂𝗿𝗲𝘀 𝗵𝗮𝘃𝗲 𝗯𝗲𝗲𝗻 𝗿𝗲𝗳𝗶𝗻𝗲𝗱 for a better user experience.
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