Computer-based (in silico) modeling & simulation tools have been embraced in different fields of pharmaceutics for a variety applications. Among these, physiologically-based pharmacokinetic/biopharmaceutics (PBPK/PBBM) emerged as particularly useful tool formulation development. PBPK/PBBM facilitated strategies increasingly evaluated over the past few years, demonstrated by several reports ...

Completion of genome projects gives us a lot of information to deal with and analyze. From the genomic sequence data, cellular information can be obtained. The complexity of cellular processes can be analyzed not only by the individual components but also by the systematic approaches. However in general, these approaches are limited by the lack of kinetic information on the metabolism. The ulti...

The ecology of the human intestinal microflora and its interaction with the host are poorly understood. Though more and more data are being acquired, in part using modern molecular methods, development of a quantitative theory has not kept pace with this development. This is in part due to the complexity of the system, and to the lack of simulation environments in which to test what the ecologi...

Mechanobiology, the study of the influence of mechanical loads on biological processes through signaling to cells, is fundamental to the inherent ability of bone tissue to adapt its structure in response to mechanical stimulation. The immense contribution of computational modeling to the nascent field of bone mechanobiology is indisputable, having aided in the interpretation of experimental fin...

Estimation of unbound fraction of substrate in microsomal incubation media is important in accurately predicting hepatic intrinsic clearance and drug-drug interactions. In this study, the unbound fraction of 1223 drug-like molecules in human liver microsomal incubation media has been determined using equilibrium dialysis. These compounds, which include 27 marketed drug molecules, cover a much b...

A free-running physiological system produces time series with complexity which has been correlated to the robustness and health of the system. The essential tool to study the link between the structure of the system and the complexity of the series it produces is a mathematical model that is capable of reproducing the statistical signatures of a physiological time series. We construct a model b...

In silico (on the computer) oncology is a multi-disciplinary field that focuses on the examination and modeling of biological mechanisms related to the phenomenon of cancer. In silico oncology simulation model may be used for evaluating and comparing different therapeutic schemes while at the same time considering different values of critical parameters which present substantial inter-patient v...