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Topology comparisons; Ligand-based design; Binding pocket mapping; Virtual high-throughput screening
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doi:10.1186/s13321-015-0091-5
Springer International Publishing
Journal of Cheminformatics, doi:10.1186/s13321-015-0091-5
Topology comparisons; Ligand-based design; Binding pocket mapping; Virtual high-throughput screening
A fast topological analysis algorithm for large-scale similarity evaluations of ligands and binding pockets
Mohammad ElGamacy
Luc Van Meervelt
10.1186/s13321-015-0091-5
2010-04-23
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