Virtual Fragment Docking by Glide: a Validation Study on 190 Protein-Fragment Complexes

Abstract

The docking accuracy of Glide was evaluated using 16 different docking protocols on 190 protein-fragment complexes representing 78 targets. Standard precision docking (Glide SP) based protocols showed the best performance. The average root-mean-square deviation (rmsd) between the docked and cocrystallized poses achieved by Glide SP with pre- and… (More)
DOI: 10.1021/ci1000407

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