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ConfGen: A Conformational Search Method for Efficient Generation of Bioactive Conformers
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Bioguided discovery and pharmacophore modeling of the mycotoxic indole diterpene alkaloids penitrems as breast cancer proliferation, migration, and invasion inhibitors
Sallam, et al. Med. Chem. Commun., 2013, 4, 1360-1369- Publication
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Optimization, Pharmacophore Modeling and 3D-QSAR Studies of Sipholanes as Breast Cancer Migration and Proliferation Inhibitors
Foudah, et al. Eur. J. Med. Chem., 2014, 73, 310-324- Publication
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Exploring Conformational Search Protocols for Ligand-based Virtual Screening and 3-D QSAR Modeling
Cappel, et al. J. Comput. Aided Mol. Des., 2015, 29(2), 165-182- Publication
- Jul 17, 2015
Improved docking of polypeptides with Glide
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- Jul 17, 2015
Boosting virtual screening enrichments with data fusion: Coalescing hits from two-dimensional fingerprints, shape, and docking
Sastry, et al. J. Chem. Inf. Model., 2013, 53, 1531-1542Latest insights from Extrapolations blog
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