Search Results for author: U Deva Priyakumar

Found 2 papers, 1 papers with code

APObind: A Dataset of Ligand Unbound Protein Conformations for Machine Learning Applications in De Novo Drug Design

no code implementations23 Aug 2021 Rishal Aggarwal, Akash Gupta, U Deva Priyakumar

Protein-ligand complex structures have been utilised to design benchmark machine learning methods that perform important tasks related to drug design such as receptor binding site detection, small molecule docking and binding affinity prediction.

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