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Published in 2022 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.1c00821
Abstract: Understanding which chemical modifications can be made to known ligands is a key aspect of structure-based drug design and one that was pioneered by the software GRID. We developed FragExplorer with the explicit aim of…
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Keywords:
grid based;
exploration;
based fragment;
grid ... See more keywords