High-Confidence Protein-Ligand Complex Modeling by NMR-Guided Docking Enables Early Hit Optimization.
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DOI: 10.1021/jacs.7b07171
Abstract: Structure-based drug design is an integral part of modern day drug discovery and requires detailed structural characterization of protein-ligand interactions, which is most commonly performed by X-ray crystallography. However, the success rate of generating these… read more here.
Keywords: guided docking; high confidence; optimization; ligand ... See more keywords