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Research Article

Computer-Aided Lead Optimization: Improved Small-Molecule Inhibitor of the Zinc Endopeptidase of Botulinum Neurotoxin Serotype A

  • Jing Tang,

    Affiliation: Computer-Aided Molecular Design Laboratory, Mayo Clinic, Rochester, Minnesota, United States of America

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  • Jewn Giew Park,

    Affiliation: Computer-Aided Molecular Design Laboratory, Mayo Clinic, Rochester, Minnesota, United States of America

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  • Charles B. Millard,

    Affiliation: Division of Biochemistry, Walter Reed Army Institute of Research, Silver Spring, Maryland, United States of America

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  • James J. Schmidt mail,

    To whom correspondence should be addressed. E-mail: james.schmidt@det.amedd.army.mil (JS); pang@mayo.edu (Y-PP)

    Affiliation: Department of Cell Biology and Biochemistry, United States Army Medical Research Institute of Infectious Diseases, Frederick, Maryland, United States of America

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  • Yuan-Ping Pang mail

    To whom correspondence should be addressed. E-mail: james.schmidt@det.amedd.army.mil (JS); pang@mayo.edu (Y-PP)

    Affiliation: Computer-Aided Molecular Design Laboratory, Mayo Clinic, Rochester, Minnesota, United States of America

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  • Published: August 22, 2007
  • DOI: 10.1371/journal.pone.0000761

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