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Identification of a Minimal Subset of Receptor Conformations for Improved Multiple Conformation Docking and Two-Step Scoring

https://doi.org/10.1021/ci0341619
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Outgoing claims: the papers this work cites, builds on, or argues with.

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Detection of Weak Estrogenic Flavonoids Using a Recombinant Yeast Strain and a Modified MCF7 Cell Proliferation Assay
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Reproducing the conformations of protein-bound ligands: A critical evaluation of several popular conformational searching tools
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A Single Glycine Residue at the Entrance to the First Membrane-Spanning Domain of the γ-Aminobutyric Acid Type A Receptor β2Subunit Affects Allosteric Sensitivity to GABA and Anesthetics
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Molecular Recognition and Docking Algorithms
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QSAR Models for Binding of Estrogenic Compounds to Estrogen Receptor α and β Subtypes

What points at this work

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Identification of a Minimal Subset of Receptor Conformations for Improved Multiple Conformation Docking and Two‐Step Scoring.
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Protein Flexibility in Drug Discovery: From Theory to Computation
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Experimental versus predicted affinities for ligand binding to estrogen receptor: iterative selection and rescoring of docked poses systematically improves the correlation
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Binding pose and affinity prediction in the 2016 D3R Grand Challenge 2 using the Wilma-SIE method
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Molecular mechanism of serotonin transporter inhibition elucidated by a new flexible docking protocol
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Actives-Based Receptor Selection Strongly Increases the Success Rate in Structure-Based Drug Design and Leads to Identification of 22 Potent Cancer Inhibitors
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