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• W2079367256 abstract "Over the past two decades, solvent mapping has emerged as a useful tool for identifying hot spots within binding sites on proteins for drug-like molecules and suggesting properties of potential binders. While the experimental technique requires solving multiple crystal structures of a protein in different solvents, computational solvent mapping allows for fast analysis of a protein for potential binding sites and their druggability. Recent advances in genomics, systems biology and interactomics provide a multitude of potential targets for drug development and solvent mapping can provide useful information to help prioritize targets for drug discovery projects. Here, we review various approaches to computational solvent mapping, highlight some key advances and provide our opinion on future directions in the field." @default.
• W2079367256 created "2016-06-24" @default.
• W2079367256 creator A5058240326 @default.
• W2079367256 creator A5058881439 @default.
• W2079367256 date "2015-03-01" @default.
• W2079367256 modified "2023-09-27" @default.
• W2079367256 title "Computational solvent mapping in structure-based drug design" @default.
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