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Training a Scoring Function for the Alignment of Small Molecules

https://doi.org/10.1021/ci100227h
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Outgoing claims: the papers this work cites, builds on, or argues with.

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Graph-Based Molecular Alignment (GMA)
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Flexible Alignment of Small Molecules Using the Penalty Method
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Multiobjective Optimization of Pharmacophore Hypotheses: Bias Toward Low-Energy Conformations
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Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins
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Flexible Alignment of Small Molecules
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Virtual Screening Workflow Development Guided by the “Receiver Operating Characteristic” Curve Approach. Application to High-Throughput Docking on Metabotropic Glutamate Receptor Subtype 4
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A novel method of aligning molecules by local surface shape similarity
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A molecular-field-based similarity study of non-nucleoside HIV-1 reverse transcriptase inhibitors. 2. The relationship between alignment solutions obtained from conformationally rigid and flexible matching
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Computational methods for the structural alignment of molecules
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The Protein Data Bank

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Incoming claims: where this work appears in other papers’ reference lists and arguments.

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