Martina Bertazzo

Most-cited papers

1. Dynamic Docking: A Paradigm Shift in Computational Drug Discovery

   D. Gioia, Martina Bertazzo, M. Recanatini, Matteo Masetti +1 more

   2017Molecules170 citations Open access

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2. Predicting Residence Time and Drug Unbinding Pathway through Scaled Molecular Dynamics

   D. Schuetz, M. Bernetti, Martina Bertazzo, D. Musil +5 more

   2018Journal of Chemical Information and Modeling69 citations Open access

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3. Machine Learning and Enhanced Sampling Simulations for Computing the Potential of Mean Force and Standard Binding Free Energy

   Martina Bertazzo, D. Gobbo, S. Decherchi, A. Cavalli

   2021Journal of Chemical Theory and Computation41 citations Open access

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4. Data-Driven Molecular Dynamics: A Multifaceted Challenge

   M. Bernetti, Martina Bertazzo, Matteo Masetti

   2020Pharmaceuticals33 citations Open access

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5. Fully Flexible Docking via Reaction-Coordinate-Independent Molecular Dynamics Simulations

   Martina Bertazzo, M. Bernetti, M. Recanatini, Matteo Masetti +1 more

   2018Journal of Chemical Information and Modeling12 citations

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6. Probabilistic Pocket Druggability Prediction via One-Class Learning

   Riccardo Aguti, Erika Gardini, Martina Bertazzo, S. Decherchi +1 more

   2022Frontiers in Pharmacology10 citations Open access

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7. Probing the transport of Ni(II) ions through the internal tunnels of the Helicobacter pylori UreDFG multimeric protein complex.

   Matteo Masetti, Martina Bertazzo, M. Recanatini, S. Ciurli +1 more

   2021Journal of Inorganic Biochemistry8 citations

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8. Dynamic Docking, Path Analysis and Free Energy Computation in Protein-Ligand Binding

   Martina Bertazzo

   20200 citations

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