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Published in 2017 at "Bioinformatics"
DOI: 10.1093/bioinformatics/btx125
Abstract: Motivation: The identification and tracking of molecules which enter active site cavity requires screening the positions of thousands of single molecules along several thousand molecular dynamic steps. To fill the existing gap between tools searching…
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Keywords:
ligands tracking;
aqua duct;
tracking tool;
duct ligands ... See more keywords