Here the authors combine a deep generative model with structure-based drug design and prospectively validate functionally active, nanomolar, A 2A adenosine receptor ligands and solve their crystal ...

Biopolymer composites are known for their utility in diverse applications. In this paper, we report an effective methodology for the detoxification of chromium using cellulose-montmorillonite ...

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The montmorillonite clay structure used in this study with the stoichiometry (Si 4) IV (Al 1.67 Mg 0.33) VI O 10 (OH) 2 was modeled based on atomic coordinates from the Interface MD model database.