Benchmark Sets for Binding Hot Spot Identification in Fragment-Based Ligand Discovery

Amanda E. Wakefield, Christine Yueh, Dmitri Beglov, Marcelo Santos Castilho, Dima Kozakov, György M. Keserü, Adrian Whitty, Sandor Vajda. Benchmark Sets for Binding Hot Spot Identification in Fragment-Based Ligand Discovery. Journal of Chemical Information and Computer Sciences, 60(12):6612-6623, 2020. [doi]

Abstract

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