A Catalytic Mechanism for Cysteine N-Terminal Nucleophile Hydrolases, as Revealed by Free Energy Simulations

• Alessio Lodola,

  Affiliation Pharmaceutical Department, University of Parma, Parma, Italy

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• Davide Branduardi,

  Affiliation Drug Discovery and Development, Italian Institute of Technology, Genova, Italy

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• Marco De Vivo,

  Affiliation Drug Discovery and Development, Italian Institute of Technology, Genova, Italy

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• Luigi Capoferri,

  Affiliation Pharmaceutical Department, University of Parma, Parma, Italy

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• Marco Mor,

  Affiliation Pharmaceutical Department, University of Parma, Parma, Italy

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• Daniele Piomelli,

  Affiliations Drug Discovery and Development, Italian Institute of Technology, Genova, Italy, Department of Pharmacology, University of California Irvine, Irvine, California, United States of America

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• Andrea Cavalli

  * E-mail: andrea.cavalli@iit.it

  Affiliations Drug Discovery and Development, Italian Institute of Technology, Genova, Italy, Department of Pharmaceutical Sciences, University of Bologna, Bologna, Italy

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