Rational Design of Small-Molecule Stabilizers of Spermine Synthase Dimer by Virtual Screening and Free Energy-Based Approach

• Zhe Zhang,

  Affiliations Université Paris Diderot, Sorbonne Paris Cité, Molécules Thérapeutiques In Silico, Inserm UMR-S 973, Paris, France, INSERM, U973, Paris, France, Computational Biophysics and Bioinformatics, Department of Physics and Astronomy, Clemson University, Clemson, South Carolina, United States of America

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• Virginie Martiny,

  Affiliations Université Paris Diderot, Sorbonne Paris Cité, Molécules Thérapeutiques In Silico, Inserm UMR-S 973, Paris, France, INSERM, U973, Paris, France

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• David Lagorce,

  Affiliations Université Paris Diderot, Sorbonne Paris Cité, Molécules Thérapeutiques In Silico, Inserm UMR-S 973, Paris, France, INSERM, U973, Paris, France

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• Yoshihiko Ikeguchi,

  Affiliation Faculty of Pharmaceutical Sciences, Josai University, Togane, Japan

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• Emil Alexov ,

  * E-mail: ealexov@clemson.edu (EA); maria.miteva@univ-paris-diderot.fr (MM)

  Affiliation Computational Biophysics and Bioinformatics, Department of Physics and Astronomy, Clemson University, Clemson, South Carolina, United States of America

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• Maria A. Miteva

  * E-mail: ealexov@clemson.edu (EA); maria.miteva@univ-paris-diderot.fr (MM)

  Affiliations Université Paris Diderot, Sorbonne Paris Cité, Molécules Thérapeutiques In Silico, Inserm UMR-S 973, Paris, France, INSERM, U973, Paris, France

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