Month: November 2013
A Dynamic Physiologically-based Pharmacokinetic Model for Ranitidine—Including Permeability-limited Submodels for Liver and Kidney
PBPK Modeling of Negative Food Effects upon Oral Drug Absorption of the BCS Class III Drug Trospium Chloride: Combination of a Dynamic Viscosity-disintegration Model and the ADAM (Advanced Dissolution, Absorption and Metabolism) Model
Use of a Minimal PBPK Model to Investigate the Effect of Shed Antigen on Simulated Trastuzumab in Humans
A PBPK/PD Model Using Free Quinidine Heart Concentrations to Simulate QT Prolongation in Caucasian and Asian Females
Quantitative Prediction of Circadian Variation Impacts on Pharmacokinetics (PK): Dependence on Route of Administration in the Case of BCS/BDDCS Class II and CYP3A4 Substrate Drug Nifedipine
Performing Reference-scaled Average Bioequivalence (RSABE) in Phoenix WinNonlin
CYP2C8 is a Previously Unreported Important Contributor to Olanzapine Oxidative Metabolism
A Structure-guided Approach for Protein Pocket Modeling and Affinity Prediction
Binding affinity prediction is frequently addressed using computational models constructed solely with molecular structure and activity data. We present a hybrid structure-guided strategy that combines molecular similarity, docking, and multiple-instance learning such that information from protein structures can be used to inform models of structure–activity relationships. The Surflex-QMOD approach has been shown to produce accurate … Continued
