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Published in 2018 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.8b00329
Abstract: Molecular docking, which mainly includes pose prediction and binding affinity calculation, has become an important tool for assisting structure-based drug design. Correctly predicting the ligand binding pose to a protein target enables the estimation of…
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Keywords:
pose prediction;
consensus docking;
novel consensus;
docking strategy ... See more keywords