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Sergio Decherchi

Showing results (21-30 of 39) with videos related to

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Journal of Chemical Information and Modeling|June 30, 2025
NanoShaperWeb: Molecular Surface and Pocket Detection Made VisualCarlo Abate, Eleonora Serra, Walter Rocchia, et al.
ACS Central Science|October 6, 2017
Allosteric Communication Networks in Proteins Revealed through Pocket Crosstalk AnalysisGiuseppina La Sala, Sergio Decherchi, Marco De Vivo, et al.
Journal of Chemical Information and Modeling|January 18, 2018
BiKi Life Sciences: A New Suite for Molecular Dynamics and Related Methods in Drug DiscoverySergio Decherchi, Giovanni Bottegoni, Andrea Spitaleri, et al.
The Journal of Chemical Physics|April 24, 2023
On the allosteric puzzle and pocket crosstalk through computational meansRiccardo Aguti, Mattia Bernetti, Stefano Bosio, et al.
Journal of Chemical Information and Modeling|July 18, 2023
Molecular Dynamics and Machine Learning Give Insights on the Flexibility-Activity Relationships in Tyrosine KinomeSarmistha Majumdar, Francesco Di Palma, Francesca Spyrakis, et al.
Journal of Chemical Information and Modeling|June 6, 2025
Path-Based Nonequilibrium Binding Free Energy Estimation, from Protein-Ligand to RNA-Ligand BindingEleonora Serra, Alessia Ghidini, Riccardo Aguti, et al.
Scientific Reports|June 24, 2015
Kinetics of protein-ligand unbinding via smoothed potential molecular dynamics simulationsLuca Mollica, Sergio Decherchi, Syeda Rehana Zia, et al.
European Journal of Medicinal Chemistry|January 16, 2020
Multi-target dopamine D3 receptor modulators: Actionable knowledge for drug design from molecular dynamics and machine learningMariarosaria Ferraro, Sergio Decherchi, Alessio De Simone, et al.
Scientific Reports|May 7, 2016
Corrigendum: Kinetics of protein-ligand unbinding via smoothed potential molecular dynamics simulationsLuca Mollica, Sergio Decherchi, Syeda Rehana Zia, et al.
Communications in Computational Physics|March 23, 2013
Between algorithm and model: different Molecular Surface definitions for the Poisson-Boltzmann based electrostatic characterization of biomolecules in solutionSergio Decherchi, José Colmenares, Chiara Eva Catalano, et al.
Pageof 4

Showing results (21-30 of 39) with videos related to

Sort By:
Pageof 4
Journal of Chemical Information and Modeling|June 30, 2025
NanoShaperWeb: Molecular Surface and Pocket Detection Made VisualCarlo Abate, Eleonora Serra, Walter Rocchia, et al.
ACS Central Science|October 6, 2017
Allosteric Communication Networks in Proteins Revealed through Pocket Crosstalk AnalysisGiuseppina La Sala, Sergio Decherchi, Marco De Vivo, et al.
Journal of Chemical Information and Modeling|January 18, 2018
BiKi Life Sciences: A New Suite for Molecular Dynamics and Related Methods in Drug DiscoverySergio Decherchi, Giovanni Bottegoni, Andrea Spitaleri, et al.
The Journal of Chemical Physics|April 24, 2023
On the allosteric puzzle and pocket crosstalk through computational meansRiccardo Aguti, Mattia Bernetti, Stefano Bosio, et al.
Journal of Chemical Information and Modeling|July 18, 2023
Molecular Dynamics and Machine Learning Give Insights on the Flexibility-Activity Relationships in Tyrosine KinomeSarmistha Majumdar, Francesco Di Palma, Francesca Spyrakis, et al.
Journal of Chemical Information and Modeling|June 6, 2025
Path-Based Nonequilibrium Binding Free Energy Estimation, from Protein-Ligand to RNA-Ligand BindingEleonora Serra, Alessia Ghidini, Riccardo Aguti, et al.
Scientific Reports|June 24, 2015
Kinetics of protein-ligand unbinding via smoothed potential molecular dynamics simulationsLuca Mollica, Sergio Decherchi, Syeda Rehana Zia, et al.
European Journal of Medicinal Chemistry|January 16, 2020
Multi-target dopamine D3 receptor modulators: Actionable knowledge for drug design from molecular dynamics and machine learningMariarosaria Ferraro, Sergio Decherchi, Alessio De Simone, et al.
Scientific Reports|May 7, 2016
Corrigendum: Kinetics of protein-ligand unbinding via smoothed potential molecular dynamics simulationsLuca Mollica, Sergio Decherchi, Syeda Rehana Zia, et al.
Communications in Computational Physics|March 23, 2013
Between algorithm and model: different Molecular Surface definitions for the Poisson-Boltzmann based electrostatic characterization of biomolecules in solutionSergio Decherchi, José Colmenares, Chiara Eva Catalano, et al.
Pageof 4