FragExplorer: GRID-Based Fragment Growing and Replacement
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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… read more here.
Keywords: grid based; exploration; based fragment; grid ... See more keywords