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Fragment-centric topographic mapping method guides the understanding of ABCG2-inhibitor interactions

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Our study gains insight into the development of novel specific ABCG2 inhibitors, and develops a comprehensive computational strategy to understand protein ligand interaction with the help of AlphaSpace, a fragment-centric… Click to show full abstract

Our study gains insight into the development of novel specific ABCG2 inhibitors, and develops a comprehensive computational strategy to understand protein ligand interaction with the help of AlphaSpace, a fragment-centric topographic mapping tool.

Keywords: centric topographic; topographic mapping; fragment centric; guides understanding; mapping method; method guides

Journal Title: RSC Advances
Year Published: 2019

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