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Current Opinion in Structural Biology
|
April 30, 2024
Probing allosteric communication with combined molecular dynamics simulations and network analysis
Mattia Bernetti, Stefano Bosio, Veronica Bresciani, 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.
Plos One
|
December 2, 2016
Mapping Cholesterol Interaction Sites on Serotonin Transporter through Coarse-Grained Molecular Dynamics
Mariarosaria Ferraro, Matteo Masetti, Maurizio Recanatini, et al.
Journal of Chemical Information and Modeling
|
July 28, 2023
Integrated Approach Including Docking, MD Simulations, and Network Analysis Highlights the Action Mechanism of the Cardiac hERG Activator RPR260243
Flavio Costa, Riccardo Ocello, Carlo Guardiani, 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.
Proteins
|
July 29, 2014
Mechanistic insights into Pin1 peptidyl-prolyl cis-trans isomerization from umbrella sampling simulations
Giovanni Paolo Di Martino, Matteo Masetti, Andrea Cavalli, et al.
Journal of Chemical Theory and Computation
|
August 23, 2019
An Integrated Markov State Model and Path Metadynamics Approach To Characterize Drug Binding Processes
Mattia Bernetti, Matteo Masetti, Maurizio Recanatini, et al.
Journal of Chemical Theory and Computation
|
October 18, 2011
Insights into Ligand-Protein Binding from Local Mechanical Response
Jagdish Suresh Patel, Davide Branduardi, Matteo Masetti, et al.
Proteins
|
January 6, 2006
Three-dimensional model of the human aromatase enzyme and density functional parameterization of the iron-containing protoporphyrin IX for a molecular dynamics study of heme-cysteinato cytochromes
Angelo Danilo Favia, Andrea Cavalli, Matteo Masetti, et al.
Page
of 7
Search research articles
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Showing results (21-30 of 64) with videos related to
Sort By:
Page
of 7
Current Opinion in Structural Biology
|
April 30, 2024
Probing allosteric communication with combined molecular dynamics simulations and network analysis
Mattia Bernetti, Stefano Bosio, Veronica Bresciani, 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.
Plos One
|
December 2, 2016
Mapping Cholesterol Interaction Sites on Serotonin Transporter through Coarse-Grained Molecular Dynamics
Mariarosaria Ferraro, Matteo Masetti, Maurizio Recanatini, et al.
Journal of Chemical Information and Modeling
|
July 28, 2023
Integrated Approach Including Docking, MD Simulations, and Network Analysis Highlights the Action Mechanism of the Cardiac hERG Activator RPR260243
Flavio Costa, Riccardo Ocello, Carlo Guardiani, 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.
Proteins
|
July 29, 2014
Mechanistic insights into Pin1 peptidyl-prolyl cis-trans isomerization from umbrella sampling simulations
Giovanni Paolo Di Martino, Matteo Masetti, Andrea Cavalli, et al.
Journal of Chemical Theory and Computation
|
August 23, 2019
An Integrated Markov State Model and Path Metadynamics Approach To Characterize Drug Binding Processes
Mattia Bernetti, Matteo Masetti, Maurizio Recanatini, et al.
Journal of Chemical Theory and Computation
|
October 18, 2011
Insights into Ligand-Protein Binding from Local Mechanical Response
Jagdish Suresh Patel, Davide Branduardi, Matteo Masetti, et al.
Proteins
|
January 6, 2006
Three-dimensional model of the human aromatase enzyme and density functional parameterization of the iron-containing protoporphyrin IX for a molecular dynamics study of heme-cysteinato cytochromes
Angelo Danilo Favia, Andrea Cavalli, Matteo Masetti, et al.
Page
of 7