A Potent and Selective Peptide Blocker of the Kv1.3 Channel: Prediction from Free-Energy Simulations and Experimental Confirmation

• M. Harunur Rashid,

  Affiliation School of Physics, University of Sydney, Sydney, New South Wales, Australia

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• Germano Heinzelmann,

  Affiliation School of Physics, University of Sydney, Sydney, New South Wales, Australia

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• Redwan Huq,

  Affiliations Department of Molecular Physiology and Biophysics, Baylor College of Medicine, Houston, Texas, United States of America, Graduate Program in Molecular Physiology and Biophysics, Baylor College of Medicine, Houston, Texas, United States of America

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• Rajeev B. Tajhya,

  Affiliations Department of Molecular Physiology and Biophysics, Baylor College of Medicine, Houston, Texas, United States of America, Graduate Program in Molecular Physiology and Biophysics, Baylor College of Medicine, Houston, Texas, United States of America

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• Shih Chieh Chang,

  Affiliation Medicinal Chemistry, Monash Institute of Pharmaceutical Sciences, Monash University, Parkville, Victoria, Australia

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• Sandeep Chhabra,

  Affiliation Medicinal Chemistry, Monash Institute of Pharmaceutical Sciences, Monash University, Parkville, Victoria, Australia

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• Michael W. Pennington,

  Affiliation Peptides International, Louisville, Kentucky, United States of America

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• Christine Beeton,

  Affiliation Department of Molecular Physiology and Biophysics, Baylor College of Medicine, Houston, Texas, United States of America

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• Raymond S. Norton ,

  * E-mail: ray.norton@monash.edu (RSN); serdar@physics.usyd.edu.au (SK)

  Affiliation Medicinal Chemistry, Monash Institute of Pharmaceutical Sciences, Monash University, Parkville, Victoria, Australia

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• Serdar Kuyucak

  * E-mail: ray.norton@monash.edu (RSN); serdar@physics.usyd.edu.au (SK)

  Affiliation School of Physics, University of Sydney, Sydney, New South Wales, Australia

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