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Identifying Compound-Target Associations by Combining Bioactivity Profile Similarity Search and Public Databases Mining
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Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/1097-0134(20010501)43:2<217::aid-prot1032>3.0.co;2-gopenalex-snapshot
Ligand-protein inverse docking and its potential use in the computer search of protein targets of a small molecule
inferredcites →https://doi.org/10.1002/jcc.21498openalex-snapshot
Evaluation of the performance of four molecular docking programs on a diverse set of protein‐ligand complexes
inferredcites →https://doi.org/10.1007/978-1-60761-839-3_10openalex-snapshot
The Scaffold Tree: An Efficient Navigation in the Scaffold Universe
inferredcites →https://doi.org/10.1007/s00280-006-0230-9openalex-snapshot
Mutant Gly482 and Thr482 ABCG2 mediate high-level resistance to lipophilic antifolates
inferredcites →https://doi.org/10.1016/j.cbpa.2008.01.022openalex-snapshot
Proteomic methods for drug target discovery
inferredcites →https://doi.org/10.1016/j.chembiol.2010.05.015openalex-snapshot
Biochemical Target Isolation for Novices: Affinity-Based Strategies
inferredcites →https://doi.org/10.1016/j.ddtec.2006.12.008openalex-snapshot
In silico target fishing: Predicting biological targets from chemical structure
inferredcites →https://doi.org/10.1016/j.drudis.2006.12.003openalex-snapshot
Scaffold selection and scaffold hopping in lead generation: a medicinal chemistry perspective
inferredcites →https://doi.org/10.1016/j.jmb.2005.08.040openalex-snapshot
Structural Basis for Inhibition of Histamine N-Methyltransferase by Diverse Drugs
inferredcites →https://doi.org/10.1016/s0092-8674(00)00015-5openalex-snapshot
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inferredcites →https://doi.org/10.1016/s1093-3263(01)00126-7openalex-snapshot
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NMR studies of multiple conformations in complexes of Lactobacillus casei dihydrofolate reductase with analogs of pyrimethamine
inferredcites →https://doi.org/10.1021/bi953037iopenalex-snapshot
Interaction of Vinca Alkaloids with Tubulin: A Comparison of Vinblastine, Vincristine, and Vinorelbine
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inferredcites →https://doi.org/10.1021/ci060003gopenalex-snapshot
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inferredcites →https://doi.org/10.1021/jm020155copenalex-snapshot
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inferredcites →https://doi.org/10.1021/jm050494gopenalex-snapshot
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inferredcites →https://doi.org/10.1021/jm060902wopenalex-snapshot
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inferredcites →https://doi.org/10.1021/jm970055kopenalex-snapshot
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inferredcites →https://doi.org/10.1021/jm970845uopenalex-snapshot
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inferredcites →https://doi.org/10.1038/34465openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s11426-013-4910-0openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/b978-0-12-800634-4.00019-6openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/b978-0-12-802808-7.00015-0openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.addr.2019.05.001openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.bbapap.2013.05.010openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.ddmod.2011.12.001openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.jmgm.2019.107485openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acs.jcim.3c00685openalex-snapshot
CODD-Pred: A Web Server for Efficient Target Identification and Bioactivity Prediction of Small Molecules
inferred← citeshttps://doi.org/10.1021/acs.jcim.5b00498openalex-snapshot
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