Ligand-Induced Structural Changes in TEM-1 Probed by Molecular Dynamics and Relative Binding Free Energy Calculations

A. César Pimenta, João M. Martins, Ruben Fernandes, Irina S. Moreira. Ligand-Induced Structural Changes in TEM-1 Probed by Molecular Dynamics and Relative Binding Free Energy Calculations. Journal of Chemical Information and Computer Sciences, 53(10):2648-2658, 2013. [doi]

Authors

A. César Pimenta

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João M. Martins

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Ruben Fernandes

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Irina S. Moreira

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