• Multi-scale modeling of drug binding kinetics to predict drug efficacy 

      Clarelli, Fabrizio; Liang, Jingyi; Martinecz, Antal; Heiland, Ines; Wiesch, Pia Abel Zur (Journal article; Tidsskriftartikkel; Peer reviewed, 2019-11-25)
      Optimizing drug therapies for any disease requires a solid understanding of pharmacokinetics (the drug concentration at a given time point in different body compartments) and pharmacodynamics (the effect a drug has at a given concentration). Mathematical models are frequently used to infer drug concentrations over time based on infrequent sampling and/or in inaccessible body compartments. Models are ...
    • Multi-scale modeling of drug binding kinetics to predict drug efficacy 

      Clarelli, Fabrizio; Liang, Jingyi; Martinecz, Antal; Heiland, Ines; Abel zur Wiesch, Pia (Journal article; Tidsskriftartikkel; Peer reviewed, 2019-11-25)
      Optimizing drug therapies for any disease requires a solid understanding of pharmacokinetics (the drug concentration at a given time point in different body compartments) and pharmacodynamics (the effect a drug has at a given concentration). Mathematical models are frequently used to infer drug concentrations over time based on infrequent sampling and/or in inaccessible body compartments. Models are ...
    • vCOMBAT: a novel tool to create and visualize a computational model of bacterial antibiotic target-binding 

      Tran, Vi Ngoc-Nha; Shams, Alireza; Ascioglu, Sinan; Martinecz, Antal; Liang, Jingyi; Clarelli, Fabrizio; Mostowy, Rafal; Cohen, Ted; Abel zur Wiesch, Pia (Journal article; Tidsskriftartikkel; Peer reviewed, 2022-01-06)
      Background: As antibiotic resistance creates a signifcant global health threat, we need not only to accelerate the development of novel antibiotics but also to develop better treatment strategies using existing drugs to improve their efcacy and prevent the selection of further resistance. We require new tools to rationally design dosing regimens from data collected in early phases of antibiotic ...