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Comparative Performance Assessment of the Conformational Model Generators Omega and Catalyst: A Large-Scale Survey on the Retrieval of Protein-Bound Ligand Conformations

https://doi.org/10.1021/ci060084g
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CHARMM : A program for macromolecular energy, minimization, and dynamics calculations
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Assessing the performance of OMEGA with respect to retrieving bioactive conformations
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Comparative Analysis of Protein-Bound Ligand Conformations with Respect to Catalyst's Conformational Space Subsampling Algorithms
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LigandScout: 3-D Pharmacophores Derived from Protein-Bound Ligands and Their Use as Virtual Screening Filters
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Conformational energy penalties of protein-bound ligands
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Do active site conformations of small ligands correspond to low free-energy solution structures?
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Reproducing the conformations of protein-bound ligands: A critical evaluation of several popular conformational searching tools
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The Protein Data Bank

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Comparative Performance Assessment of the Conformational Model Generators Omega and Catalyst: A Large‐Scale Survey on the Retrieval of Protein‐Bound Ligand Conformations.
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Pharmacophore Modeling for Cox-1 and -2 Inhibitors with Ligandscout in Comparison to Discovery Studio
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An Overview on Pharmacophore: Their significance and importance for the activity of Drug Design
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