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Research Article

Molecular Dynamics Simulations Suggest that Electrostatic Funnel Directs Binding of Tamiflu to Influenza N1 Neuraminidases

  • Ly Le ,

    Affiliations: Beckman Institute, University of Illinois at Urbana-Champaign, Urbana, Illinois, United States of America, Department of Chemistry, University of Utah, Salt Lake City, Utah, United States of America, School of Biotechnology, Ho Chi Minh International University and Saigon Institute for Computational Science and Technology, Ho Chi Minh City, Vietnam

    These authors contributed equally to this work.

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  • Eric H. Lee ,

    Affiliations: Beckman Institute, University of Illinois at Urbana-Champaign, Urbana, Illinois, United States of America, Center for Biophysics and Computational Biology, University of Illinois at Urbana-Champaign, Urbana, Illinois, United States of America, College of Medicine, University of Illinois at Urbana-Champaign, Urbana, Illinois, United States of America

    These authors contributed equally to this work.

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  • David J. Hardy,

    Affiliation: Beckman Institute, University of Illinois at Urbana-Champaign, Urbana, Illinois, United States of America

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  • Thanh N. Truong,

    Affiliation: Department of Chemistry, University of Utah, Salt Lake City, Utah, United States of America

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  • Klaus Schulten mail

    kschulte@ks.uiuc.edu

    Affiliations: Beckman Institute, University of Illinois at Urbana-Champaign, Urbana, Illinois, United States of America, Center for Biophysics and Computational Biology, University of Illinois at Urbana-Champaign, Urbana, Illinois, United States of America, Department of Physics, University of Illinois at Urbana-Champaign, Urbana, Illinois, United States of America

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  • Published: September 23, 2010
  • DOI: 10.1371/journal.pcbi.1000939

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