Insights into the Complex Formed by Matrix Metalloproteinase-2 and Alloxan Inhibitors: Molecular Dynamics Simulations and Free Energy Calculations

• Ilenia Giangreco,

  Affiliation Dipartimento Farmaco-Chimico, University of Bari “Aldo Moro”, Bari, Italy

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• Gianluca Lattanzi ,

  * E-mail: gl.lattanzi@gmail.com (GL); nicolotti@farmchim.uniba.it (ON)

  Affiliations Dipartimento di Scienze Mediche di Base, University of Bari “Aldo Moro”, Bari, Italy, Centro Ricerche Tires, University of Bari “Aldo Moro”, Bari, Italy, Istituto Nazionale di Fisica Nucleare, University of Bari “Aldo Moro”, Bari, Italy

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• Orazio Nicolotti ,

  * E-mail: gl.lattanzi@gmail.com (GL); nicolotti@farmchim.uniba.it (ON)

  Affiliations Dipartimento Farmaco-Chimico, University of Bari “Aldo Moro”, Bari, Italy, Centro Ricerche Tires, University of Bari “Aldo Moro”, Bari, Italy

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• Marco Catto,

  Affiliation Dipartimento Farmaco-Chimico, University of Bari “Aldo Moro”, Bari, Italy

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• Antonio Laghezza,

  Affiliation Dipartimento Farmaco-Chimico, University of Bari “Aldo Moro”, Bari, Italy

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• Francesco Leonetti,

  Affiliation Dipartimento Farmaco-Chimico, University of Bari “Aldo Moro”, Bari, Italy

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• Angela Stefanachi,

  Affiliation Dipartimento Farmaco-Chimico, University of Bari “Aldo Moro”, Bari, Italy

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• Angelo Carotti

  Affiliations Dipartimento Farmaco-Chimico, University of Bari “Aldo Moro”, Bari, Italy, Centro Ricerche Tires, University of Bari “Aldo Moro”, Bari, Italy

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