Computation can speed up the time it takes to find new binding partners for old drugs
Resolving conflicts among databases
From cellular responses to drugs, to adverse effects and drug repositioning, systems pharmacology gets the BD2K treatment
Computation offers a window into a disease often described as a black box
Database automatically mines literature for drug-gene relationships--and does it as well as manually curated databases.
Simulating molecular movement gives a more accurate view of binding sites.
Decades of steady progress in pharmacogenetics have unearthed hundreds of associations between genes and drug response. But the field has to solve some theoretical and practical issues before it can deliver on the promise of personalized drug therapy.
As algorithms evolve, computing power explodes, and scientists solve a greater number of 3-D protein structures, computer-aided design has the potential to dramatically cut the cost and time of drug discovery
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