Publications by authors named "Samuel Toba"

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Using pharmacophore models to gain insight into structural binding and virtual screening: an application study with CDK2 and human DHFR.
Samuel Toba, Jayashree Srinivasan, Allister J Maynard, Jon Sutter

J Chem Inf Model· September 2006

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SitePrint: three-dimensional pharmacophore descriptors derived from protein binding sites for family based active site analysis, classification, and drug design.
James R Arnold, Keith W Burdick, Scott C-H Pegg, Samuel Toba, Michelle L Lamb

J Chem Inf Comput Sci· November 2005

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A molecular basis for the selectivity of thiadiazole urea inhibitors with stromelysin-1 and gelatinase-A from generalized born molecular dynamics simulations.
Robert C Rizzo, Samuel Toba, Irwin D Kuntz

J Med Chem· June 2004

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Small molecule affinity fingerprinting. A tool for enzyme family subclassification, target identification, and inhibitor design.
Doron C Greenbaum, William D Arnold, Felice Lu, Linda Hayrapetian, Amos Baruch, Samuel Toba

Chem Biol· October 2002

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