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Journal of Chemical Theory and Computation
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June 8, 2023
Molecular Dynamics Simulations with Grand-Canonical Reweighting Suggest Cooperativity Effects in RNA Structure Probing Experiments
Nicola Calonaci, Mattia Bernetti, Alisha Jones, et al.
The Journal of Chemical Physics
|
April 24, 2023
On the allosteric puzzle and pocket crosstalk through computational means
Riccardo Aguti, Mattia Bernetti, Stefano Bosio, et al.
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.
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 Information and Modeling
|
March 19, 2026
Critical Assessment of a Structure-Based Pipeline for Targeting the Long Noncoding RNA MALAT1
Riccardo Aguti, Mattia Bernetti, Gian Marco Elisi, et al.
Journal of Chemical Information and Modeling
|
June 6, 2025
Path-Based Nonequilibrium Binding Free Energy Estimation, from Protein-Ligand to RNA-Ligand Binding
Eleonora Serra, Alessia Ghidini, Riccardo Aguti, et al.
QRB Discovery
|
August 2, 2023
Computational drug discovery under RNA times
Mattia Bernetti, Riccardo Aguti, Stefano Bosio, et al.
Journal of Computational Chemistry
|
May 31, 2017
Development of a multisite model for Ni(II) ion in solution from thermodynamic and kinetic data
Matteo Masetti, Francesco Musiani, Mattia Bernetti, et al.
Journal of Chemical Information and Modeling
|
October 20, 2018
Binding Residence Time through Scaled Molecular Dynamics: A Prospective Application to hDAAO Inhibitors
Mattia Bernetti, Elena Rosini, Luca Mollica, et al.
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of 3
Search research articles
Search
Showing results (11-20 of 26) with videos related to
Sort By:
Page
of 3
Journal of Chemical Theory and Computation
|
June 8, 2023
Molecular Dynamics Simulations with Grand-Canonical Reweighting Suggest Cooperativity Effects in RNA Structure Probing Experiments
Nicola Calonaci, Mattia Bernetti, Alisha Jones, et al.
The Journal of Chemical Physics
|
April 24, 2023
On the allosteric puzzle and pocket crosstalk through computational means
Riccardo Aguti, Mattia Bernetti, Stefano Bosio, et al.
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.
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 Information and Modeling
|
March 19, 2026
Critical Assessment of a Structure-Based Pipeline for Targeting the Long Noncoding RNA MALAT1
Riccardo Aguti, Mattia Bernetti, Gian Marco Elisi, et al.
Journal of Chemical Information and Modeling
|
June 6, 2025
Path-Based Nonequilibrium Binding Free Energy Estimation, from Protein-Ligand to RNA-Ligand Binding
Eleonora Serra, Alessia Ghidini, Riccardo Aguti, et al.
QRB Discovery
|
August 2, 2023
Computational drug discovery under RNA times
Mattia Bernetti, Riccardo Aguti, Stefano Bosio, et al.
Journal of Computational Chemistry
|
May 31, 2017
Development of a multisite model for Ni(II) ion in solution from thermodynamic and kinetic data
Matteo Masetti, Francesco Musiani, Mattia Bernetti, et al.
Journal of Chemical Information and Modeling
|
October 20, 2018
Binding Residence Time through Scaled Molecular Dynamics: A Prospective Application to hDAAO Inhibitors
Mattia Bernetti, Elena Rosini, Luca Mollica, et al.
Page
of 3