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Structural Classification of Protein Kinases Using 3D Molecular Interaction Field Analysis of Their Ligand Binding Sites: Target Family Landscapes
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Outgoing claims: the papers this work cites, builds on, or argues with.
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inferred← citeshttps://doi.org/10.1002/cbic.200400109openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.aca.2006.08.031openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.crci.2014.04.003openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.drudis.2008.12.006openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.ejmech.2006.08.001openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.jmb.2006.04.024openalex-snapshot
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