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Research Article

Drug Off-Target Effects Predicted Using Structural Analysis in the Context of a Metabolic Network Model

  • Roger L. Chang,

    Affiliation: Department of Bioengineering, University of California San Diego, La Jolla, California, United States of America

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  • Li Xie,

    Affiliation: Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, California, United States of America

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  • Lei Xie,

    Affiliation: San Diego Supercomputer Center, University of California San Diego, La Jolla, California, United States of America

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  • Philip E. Bourne,

    Affiliations: Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, California, United States of America, San Diego Supercomputer Center, University of California San Diego, La Jolla, California, United States of America

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  • Bernhard Ø. Palsson mail

    bpalsson@bioeng.ucsd.edu

    Affiliation: Department of Bioengineering, University of California San Diego, La Jolla, California, United States of America

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  • Published: September 23, 2010
  • DOI: 10.1371/journal.pcbi.1000938

About the Authors

Roger L. Chang, Bernhard Ø. Palsson
Department of Bioengineering, University of California San Diego, La Jolla, California, United States of America
Li Xie, Philip E. Bourne
Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, California, United States of America
Lei Xie, Philip E. Bourne
San Diego Supercomputer Center, University of California San Diego, La Jolla, California, United States of America

Corresponding Author

Email: bpalsson@bioeng.ucsd.edu

Competing Interests

A patent application has been filed for the modeling and simulation approach used in this study for predicting drug responses, metabolic disorders, and risk factors for treatment.

Author Contributions

Conceived and designed the experiments: Roger L. Chang, Philip E. Bourne. Performed the experiments: Roger L. Chang. Analyzed the data: Roger L. Chang, Li Xie. Contributed reagents/materials/analysis tools: Philip E. Bourne, Bernhard Ø. Pallson. Wrote the paper: Roger L. Chang, Li Xie, Lei Xie, Philip E. Bourne, Bernhard Ø. Pallson. Provided conceptual content to the study: Bernhard Ø. Pallson, Li Xie.