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Published in 2023 at "IEEE transactions on nanobioscience"
DOI: 10.1109/tnb.2023.3274640
Abstract: Protein-ligand interactions (PLIs) are essential for cellular activities and drug discovery, and due to the complexity and high cost of experimental methods, there is a great demand for computational approaches, such as protein-ligand docking, to…
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Keywords:
native poses;
ligand docking;
near native;
set poses ... See more keywords