Perspectives on High-Throughput Ligand/Protein Docking With Martini MD Simulations
نویسندگان
چکیده
منابع مشابه
High-throughput docking for lead generation.
Recent improvements in flexible docking technology may lead to a bigger role for computational methods in lead discovery. Although fast and accurate computational prediction of binding affinities for an arbitrary molecule is still beyond the limits of current methods, the docking and screening procedures can select small sets of likely lead candidates from large libraries of either commercially...
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ژورنال
عنوان ژورنال: Frontiers in Molecular Biosciences
سال: 2021
ISSN: 2296-889X
DOI: 10.3389/fmolb.2021.657222