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CAINE
2007
14 years 11 months ago
Tracking Compounds and Their Interactions within In Silico Liver
We present multi-scale tracking features for the In Silico Liver (ISL) and their simulation results. The features were developed to support tracking of dynamic pharmacokinetic/pha...
Sunwoo Park, Sean H. J. Kim, Glen E. P. Ropella, C...
SPRINGSIM
2008
14 years 11 months ago
Predicting hepatic disposition properties of cationic drugs using a physiologically based, agent-oriented In Silico Liver
The In Silico Liver (ISL) plugs together autonomous software objects that represent hepatic components at different scales and levels of details. ISL parameters sensitive to drug-...
Li Yan, Sunwoo Park, Shahab Sheikh-Bahaei, Glen E....
BMCBI
2008
133views more  BMCBI 2008»
14 years 9 months ago
MS-DOCK: Accurate multiple conformation generator and rigid docking protocol for multi-step virtual ligand screening
Background: The number of protein targets with a known or predicted tri-dimensional structure and of drug-like chemical compounds is growing rapidly and so is the need for new the...
Nicolas Sauton, David Lagorce, Bruno O. Villoutrei...
BMCBI
2008
152views more  BMCBI 2008»
14 years 9 months ago
Predicting biological system objectives de novo from internal state measurements
Background: Optimization theory has been applied to complex biological systems to interrogate network properties and develop and refine metabolic engineering strategies. For examp...
Erwin P. Gianchandani, Matthew A. Oberhardt, Antho...