Modeling and Simulation Archives

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Pediatric Drug Dosing: Tackling Big Problems for Little Patients

The challenges and complexities of pediatric drug development are well recognized. Pharmacometric modeling and simulation (M&S)…

Nastya Kassir2015 年 4 月 23 日

Publication

Lost in Centrifugation: Accounting for Transporter Protein Losses in Quantitative Targeted Absolute Proteomics

In drug development, considerable efforts are made to extrapolate from in vitro and preclinical findings…

webdev2014 年 10 月 1 日

Publication

Application of a Physiologically-based Pharmacokinetic Model to Predict OATP1B1-related Variability in Pharmacodynamics of Rosuvastatin

Typically, pharmacokinetic-pharmacodynamic (PK/PD) models use plasma concentration as the input that drives the PD model. However, interindividual variability in…

webdev2014 年 7 月 9 日

Publication

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…

webdev2013 年 11 月 9 日

Publication

Application of Permeability-limited Physiologically-based Pharmacokinetic Models: Part II—Prediction of P-glycoprotein Mediated Drug-drug Interactions with Digoxin

Digoxin is the recommended substrate for assessment of P-glycoprotein (P-gp)-mediated drug-drug interactions (DDIs) in vivo.…

webdev2013 年 9 月 1 日

Publication

Application of Permeability-limited Physiologically-based Pharmacokinetic Models: Part I—Digoxin Pharmacokinetic Incorporating P-glycoprotein-mediated Efflux

A prerequisite for the prediction of the magnitude of P-glycoprotein (P-gp)-mediated drug-drug interactions between digoxin…

webdev2013 年 9 月 1 日

Publication

A Mechanistic Framework for In Vitro-In Vivo Extrapolation of Liver Membrane Transporters: Prediction of Drug-drug Interaction Between Rosuvastatin and Cyclosporine

The interplay between liver metabolizing enzymes and transporters is a complex process involving system-related parameters such as liver blood perfusion…

webdev2013 年 7 月 24 日

Publication

Absolute Abundance and Function of Intestinal Drug Transporters: A Prerequisite for Fully Mechanistic In Vitro-In Vivo Extrapolation of Oral Drug Absorption

The use of whole body physiological-based pharmacokinetic (PBPK) models linked with in vitro-in vivo extrapolation…

webdev2013 年 1 月 1 日

Publication

Population-based Mechanistic Prediction of Oral Drug Absorption

The bioavailability of drugs from oral formulations is influenced by many physiological factors including gastrointestinal…

webdev2009 年 6 月 1 日

Publication

Accurate and Interpretable Computational Modeling of Chemical Mutagenicity

We describe a method for modeling chemical mutagenicity in terms of simple rules based on…

webdev2008 年 9 月 5 日

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Pediatric Drug Dosing: Tackling Big Problems for Little Patients

Lost in Centrifugation: Accounting for Transporter Protein Losses in Quantitative Targeted Absolute Proteomics

Application of a Physiologically-based Pharmacokinetic Model to Predict OATP1B1-related Variability in Pharmacodynamics of Rosuvastatin

A Structure-guided Approach for Protein Pocket Modeling and Affinity Prediction

Application of Permeability-limited Physiologically-based Pharmacokinetic Models: Part II—Prediction of P-glycoprotein Mediated Drug-drug Interactions with Digoxin

Application of Permeability-limited Physiologically-based Pharmacokinetic Models: Part I—Digoxin Pharmacokinetic Incorporating P-glycoprotein-mediated Efflux

A Mechanistic Framework for In Vitro-In Vivo Extrapolation of Liver Membrane Transporters: Prediction of Drug-drug Interaction Between Rosuvastatin and Cyclosporine

Absolute Abundance and Function of Intestinal Drug Transporters: A Prerequisite for Fully Mechanistic In Vitro-In Vivo Extrapolation of Oral Drug Absorption

Population-based Mechanistic Prediction of Oral Drug Absorption

Accurate and Interpretable Computational Modeling of Chemical Mutagenicity

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