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Abhik Mukhopadhyay CCDC

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Joined: 12/09/2019

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  • How to generate a 3D molecular structure from a SMILES string

    Thu, 15 Jul 2021 10:21:00 GMT

    It is now possible to generate a 3D structure from a SMILES string in the CSD Python API. Here we’ll explain how it works.

    Continue reading…
  • CSD in action: Novel factor VIIa inhibitors via fragment based screening

    Tue, 16 Feb 2021 12:36:00 GMT

    Here we highlight one paper which used fragment based screening to identify new inhibitors with improved pharmacokinetic properties. Part of our series highlighting examples of CCDC tools in action by scientists around the world.

    Continue reading…
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