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Biological and Medicinal Chemistry

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Fragment-based design

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2 results in Keywords: Fragment-based design

Theoretical and Computational Chemistry

On the value of using 3D-shape and electrostatic similarities in deep generative methods

Giovanni Bolcato, Esther Heid, Jonas Boström

Version 3 posted 02 February 2022

2,465

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Biological and Medicinal Chemistry

Selective binding of small molecules to Vibrio cholerae DsbA offers a starting point for the design of novel antibacterials

Geqing Wang, Biswaranjan Mohanty, Martin Williams, Bradley Doak, Rabeb Dhouib, Makrina Totsika, Róisín Macmahon, Gaurav Sharma, Dan Zheng, Matthew Bentley, Yanni Ka-Yan Chin, James Horne, David Chalmers, Begona Heras, Martin Scanlon

Version 1 posted 07 October 2021

208

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