Structured Pathway across the Transition State for Peptide Folding Revealed by Molecular Dynamics Simulations

• Lipi Thukral,

  Affiliation Interdisciplinary Center for Scientific Computing, University of Heidelberg, Heidelberg, Germany

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• Isabella Daidone ,

  * E-mail: daidone@caspur.it (ID); smithjc@ornl.gov (JCS)

  Affiliation Department of Chemistry, Chemical Engineering and Materials, University of L'Aquila, Coppito, Italy

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• Jeremy C. Smith

  * E-mail: daidone@caspur.it (ID); smithjc@ornl.gov (JCS)

  Affiliation UT/ORNL Center for Molecular Biophysics, Oak Ridge National Laboratory, Oak Ridge, Tennessee

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