Topics and Expertise: Computer Simulation

Computer models to predict drug clearance by liver cells show promise

Tue Nov 22, 2011
schematic diagram

A schematic diagram of the mechanisms built into each cell in the in silico hepatocyte cultures. Checkmarks indicate events affected by the physical and chemical properties of a specific virtual drug object. For example, depending on such properties a given drug bound to an enzyme can have a different probability of being metabolized or released. (Source: Drug Metab Dispos. 2011 Oct;39(10):p. 1910-20)

A holy grail of drug discovery is to answer key questions about potential new drugs less by experiments in petri dishes and lab animals and more by faster, cheaper engineering efforts using predictive computer models.

Giacomini cites increasing impact of quantitative pharmacology

Mon Oct 10, 2011
Giacomini
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Kathy Giacomini, PhD

Pharmaceutical companies will increasingly apply the predictive modeling of quantitative pharmacology to do more efficient drug development, says Kathy Giacomini, PhD, co-chair of the Department of Bioengineering and Therapeutic Sciences (BTS), a joint department

Top Scientific Breakthroughs of 2009

Thu Dec 31, 2009