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

• Fredrik Ekström ,

  * E-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

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• Yuan-Ping Pang

  * E-mail: fredrik.ekstrom@foi.se (FE); pang@mayo.edu (YPP)

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

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