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Federico Comitani

Showing results (1-10 of 19) with videos related to

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Journal of Chemical Theory and Computation|May 18, 2018
Exploring Cryptic Pockets Formation in Targets of Pharmaceutical Interest with SWISHFederico Comitani, Francesco Luigi Gervasio
Biochemical Society Transactions|April 8, 2015
Elucidating ligand binding and channel gating mechanisms in pentameric ligand-gated ion channels by atomistic simulationsFederico Comitani, Claudio Melis, Carla Molteni
Journal of Chemical Theory and Computation|May 27, 2016
The Free Energy Landscape of GABA Binding to a Pentameric Ligand-Gated Ion Channel and Its Disruption by MutationsFederico Comitani, Vittorio Limongelli, Carla Molteni
Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics|September 26, 2012
Tunable heat transfer with smart nanofluidsMichele Bernardin, Federico Comitani, Alberto Vailati
Journal of Chemical Theory and Computation|November 24, 2018
Defining an Optimal Metric for the Path Collective VariablesLadislav Hovan, Federico Comitani, Francesco L Gervasio
The Journal of Physical Chemistry Letters|January 23, 2019
Trans- Cis Proline Switches in a Pentameric Ligand-Gated Ion Channel: How They Are Affected by and How They Affect the Biomolecular EnvironmentAlessandro Crnjar, Federico Comitani, William Hester, et al.
Interface Focus|May 9, 2019
Mutagenesis computer experiments in pentameric ligand-gated ion channels: the role of simulation tools with different resolutionAlessandro Crnjar, Federico Comitani, Claudio Melis, et al.
The Journal of Chemical Physics|April 17, 2017
Mapping the conformational free energy of aspartic acid in the gas phase and in aqueous solutionFederico Comitani, Kevin Rossi, Michele Ceriotti, et al.
Journal of Computer-Aided Molecular Design|January 21, 2014
Insights into the binding of GABA to the insect RDL receptor from atomistic simulations: a comparison of modelsFederico Comitani, Netta Cohen, Jamie Ashby, et al.
Journal of Chemical Theory and Computation|September 14, 2018
A Multiscale Simulation Approach to Modeling Drug-Protein Binding KineticsSusanta Haldar, Federico Comitani, Giorgio Saladino, et al.
Pageof 2

Showing results (1-10 of 19) with videos related to

Sort By:
Pageof 2
Journal of Chemical Theory and Computation|May 18, 2018
Exploring Cryptic Pockets Formation in Targets of Pharmaceutical Interest with SWISHFederico Comitani, Francesco Luigi Gervasio
Biochemical Society Transactions|April 8, 2015
Elucidating ligand binding and channel gating mechanisms in pentameric ligand-gated ion channels by atomistic simulationsFederico Comitani, Claudio Melis, Carla Molteni
Journal of Chemical Theory and Computation|May 27, 2016
The Free Energy Landscape of GABA Binding to a Pentameric Ligand-Gated Ion Channel and Its Disruption by MutationsFederico Comitani, Vittorio Limongelli, Carla Molteni
Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics|September 26, 2012
Tunable heat transfer with smart nanofluidsMichele Bernardin, Federico Comitani, Alberto Vailati
Journal of Chemical Theory and Computation|November 24, 2018
Defining an Optimal Metric for the Path Collective VariablesLadislav Hovan, Federico Comitani, Francesco L Gervasio
The Journal of Physical Chemistry Letters|January 23, 2019
Trans- Cis Proline Switches in a Pentameric Ligand-Gated Ion Channel: How They Are Affected by and How They Affect the Biomolecular EnvironmentAlessandro Crnjar, Federico Comitani, William Hester, et al.
Interface Focus|May 9, 2019
Mutagenesis computer experiments in pentameric ligand-gated ion channels: the role of simulation tools with different resolutionAlessandro Crnjar, Federico Comitani, Claudio Melis, et al.
The Journal of Chemical Physics|April 17, 2017
Mapping the conformational free energy of aspartic acid in the gas phase and in aqueous solutionFederico Comitani, Kevin Rossi, Michele Ceriotti, et al.
Journal of Computer-Aided Molecular Design|January 21, 2014
Insights into the binding of GABA to the insect RDL receptor from atomistic simulations: a comparison of modelsFederico Comitani, Netta Cohen, Jamie Ashby, et al.
Journal of Chemical Theory and Computation|September 14, 2018
A Multiscale Simulation Approach to Modeling Drug-Protein Binding KineticsSusanta Haldar, Federico Comitani, Giorgio Saladino, et al.
Pageof 2