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Research Article

Structure of HI-6•Sarin-Acetylcholinesterase Determined by X-Ray Crystallography and Molecular Dynamics Simulation: Reactivator Mechanism and Design

  • Fredrik Ekström mail,

    fredrik.ekstrom@foi.se (FE); pang@mayo.edu (YPP)

    Affiliation: Swedish Defence Research Agency, CBRN Defence and Security, Umeå, Sweden

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  • Andreas Hörnberg,

    Affiliation: Swedish Defence Research Agency, CBRN Defence and Security, Umeå, Sweden

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  • Elisabet Artursson,

    Affiliation: Swedish Defence Research Agency, CBRN Defence and Security, Umeå, Sweden

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  • Lars-Gunnar Hammarström,

    Affiliation: Swedish Defence Research Agency, CBRN Defence and Security, Umeå, Sweden

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  • Gunter Schneider,

    Affiliation: Department of Medical Biochemistry and Biophysics, Karolinska Institutet, Stockholm, Sweden

    X
  • Yuan-Ping Pang mail

    fredrik.ekstrom@foi.se (FE); pang@mayo.edu (YPP)

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

    X
  • Published: June 18, 2009
  • DOI: 10.1371/journal.pone.0005957

About the Authors

Fredrik Ekström, Andreas Hörnberg, Elisabet Artursson, Lars-Gunnar Hammarström
Swedish Defence Research Agency, CBRN Defence and Security, Umeå, Sweden
Gunter Schneider
Department of Medical Biochemistry and Biophysics, Karolinska Institutet, Stockholm, Sweden
Yuan-Ping Pang
Computer-Aided Molecular Design Laboratory, Mayo Clinic, Rochester, Minnesota, United States of America

Corresponding Authors

Competing Interests

The authors have declared that no competing interests exist.

Author Contributions

Conceived and designed the experiments: FJE YPP. Performed the experiments: FJE AH EA LGH YPP. Analyzed the data: FJE AH EA LGH GS YPP. Wrote the paper: FJE YPP. Contributed with revisions: AH EA LGH GS.