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Pharmaceuticals (Basel, Switzerland)
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September 23, 2020
Data-Driven Molecular Dynamics: A Multifaceted Challenge
Mattia Bernetti, Martina Bertazzo, Matteo Masetti
Journal of Chemical Theory and Computation
|
July 14, 2021
Machine Learning and Enhanced Sampling Simulations for Computing the Potential of Mean Force and Standard Binding Free Energy
Martina Bertazzo, Dorothea Gobbo, Sergio Decherchi, et al.
Frontiers in Pharmacology
|
July 18, 2022
Probabilistic Pocket Druggability Prediction <i>via</i> One-Class Learning
Riccardo Aguti, Erika Gardini, Martina Bertazzo, et al.
Journal of Chemical Information and Modeling
|
January 30, 2018
Fully Flexible Docking via Reaction-Coordinate-Independent Molecular Dynamics Simulations
Martina Bertazzo, Mattia Bernetti, Maurizio Recanatini, et al.
Molecules (Basel, Switzerland)
|
November 23, 2017
Dynamic Docking: A Paradigm Shift in Computational Drug Discovery
Dario Gioia, Martina Bertazzo, Maurizio Recanatini, et al.
Journal of Inorganic Biochemistry
|
July 29, 2021
Probing the transport of Ni(II) ions through the internal tunnels of the Helicobacter pylori UreDFG multimeric protein complex
Matteo Masetti, Martina Bertazzo, Maurizio Recanatini, et al.
Journal of Chemical Information and Modeling
|
December 1, 2018
Predicting Residence Time and Drug Unbinding Pathway through Scaled Molecular Dynamics
Doris A Schuetz, Mattia Bernetti, Martina Bertazzo, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 7) with videos related to
Sort By:
Page
of 1
Pharmaceuticals (Basel, Switzerland)
|
September 23, 2020
Data-Driven Molecular Dynamics: A Multifaceted Challenge
Mattia Bernetti, Martina Bertazzo, Matteo Masetti
Journal of Chemical Theory and Computation
|
July 14, 2021
Machine Learning and Enhanced Sampling Simulations for Computing the Potential of Mean Force and Standard Binding Free Energy
Martina Bertazzo, Dorothea Gobbo, Sergio Decherchi, et al.
Frontiers in Pharmacology
|
July 18, 2022
Probabilistic Pocket Druggability Prediction <i>via</i> One-Class Learning
Riccardo Aguti, Erika Gardini, Martina Bertazzo, et al.
Journal of Chemical Information and Modeling
|
January 30, 2018
Fully Flexible Docking via Reaction-Coordinate-Independent Molecular Dynamics Simulations
Martina Bertazzo, Mattia Bernetti, Maurizio Recanatini, et al.
Molecules (Basel, Switzerland)
|
November 23, 2017
Dynamic Docking: A Paradigm Shift in Computational Drug Discovery
Dario Gioia, Martina Bertazzo, Maurizio Recanatini, et al.
Journal of Inorganic Biochemistry
|
July 29, 2021
Probing the transport of Ni(II) ions through the internal tunnels of the Helicobacter pylori UreDFG multimeric protein complex
Matteo Masetti, Martina Bertazzo, Maurizio Recanatini, et al.
Journal of Chemical Information and Modeling
|
December 1, 2018
Predicting Residence Time and Drug Unbinding Pathway through Scaled Molecular Dynamics
Doris A Schuetz, Mattia Bernetti, Martina Bertazzo, et al.
Page
of 1