Deciphering the Complexity of Ligand-Protein Recognition Pathways Using Supervised Molecular Dynamics (SuMD) Simulations

Alberto Cuzzolin, Mattia Sturlese, Giuseppe Deganutti, Veronica Salmaso, Davide Sabbadin, Antonella Ciancetta, Stefano Moro. Deciphering the Complexity of Ligand-Protein Recognition Pathways Using Supervised Molecular Dynamics (SuMD) Simulations. Journal of Chemical Information and Computer Sciences, 56(4):687-705, 2016. [doi]

Authors

Alberto Cuzzolin

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Mattia Sturlese

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Giuseppe Deganutti

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Veronica Salmaso

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Davide Sabbadin

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Antonella Ciancetta

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Stefano Moro

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