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Raffaello Potestio

Showing results (41-50 of 57) with videos related to

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Journal of Chemical Theory and Computation|January 19, 2026
Determining the Optimal Structural Resolution of Proteins through an Information-Theoretic Analysis of Their Conformational EnsembleMargherita Mele, Raffaele Fiorentini, Thomas Tarenzi, et al.
Journal of Chemical Theory and Computation|June 23, 2016
Toward Hamiltonian Adaptive QM/MM: Accurate Solvent Structures Using Many-Body PotentialsJelle M Boereboom, Raffaello Potestio, Davide Donadio, et al.
Journal of Chemical Information and Modeling|June 11, 2024
EXCOGITO, an Extensible Coarse-Graining Toolbox for the Investigation of Biomolecules by Means of Low-Resolution RepresentationsMarco Giulini, Raffaele Fiorentini, Luca Tubiana, et al.
Journal of Chemical Theory and Computation|October 11, 2017
Open Boundary Simulations of Proteins and Their Hydration Shells by Hamiltonian Adaptive Resolution SchemeThomas Tarenzi, Vania Calandrini, Raffaello Potestio, et al.
Journal of Chemical Theory and Computation|May 24, 2016
From Classical to Quantum and Back: A Hamiltonian Scheme for Adaptive Multiresolution Classical/Path-Integral SimulationsKarsten Kreis, Mark E Tuckerman, Davide Donadio, et al.
The Journal of Chemical Physics|March 9, 2021
Open-boundary Hamiltonian adaptive resolution. From grand canonical to non-equilibrium molecular dynamics simulationsMaziar Heidari, Kurt Kremer, Ramin Golestanian, et al.
Plos Computational Biology|November 19, 2013
Mechanical and assembly units of viral capsids identified via quasi-rigid domain decompositionGuido Polles, Giuliana Indelicato, Raffaello Potestio, et al.
Frontiers in Molecular Biosciences|May 17, 2021
A Deep Graph Network-Enhanced Sampling Approach to Efficiently Explore the Space of Reduced Representations of ProteinsFederico Errica, Marco Giulini, Davide Bacciu, et al.
Scientific Reports|February 27, 2024
Quality assessment and community detection methods for anonymized mobility data in the Italian Covid contextJules Morand, Shoichi Yip, Yannis Velegrakis, et al.
Physical Review Letters|August 27, 2013
Monte carlo adaptive resolution simulation of multicomponent molecular liquidsRaffaello Potestio, Pep Español, Rafael Delgado-Buscalioni, et al.
Pageof 6

Showing results (41-50 of 57) with videos related to

Sort By:
Pageof 6
Journal of Chemical Theory and Computation|January 19, 2026
Determining the Optimal Structural Resolution of Proteins through an Information-Theoretic Analysis of Their Conformational EnsembleMargherita Mele, Raffaele Fiorentini, Thomas Tarenzi, et al.
Journal of Chemical Theory and Computation|June 23, 2016
Toward Hamiltonian Adaptive QM/MM: Accurate Solvent Structures Using Many-Body PotentialsJelle M Boereboom, Raffaello Potestio, Davide Donadio, et al.
Journal of Chemical Information and Modeling|June 11, 2024
EXCOGITO, an Extensible Coarse-Graining Toolbox for the Investigation of Biomolecules by Means of Low-Resolution RepresentationsMarco Giulini, Raffaele Fiorentini, Luca Tubiana, et al.
Journal of Chemical Theory and Computation|October 11, 2017
Open Boundary Simulations of Proteins and Their Hydration Shells by Hamiltonian Adaptive Resolution SchemeThomas Tarenzi, Vania Calandrini, Raffaello Potestio, et al.
Journal of Chemical Theory and Computation|May 24, 2016
From Classical to Quantum and Back: A Hamiltonian Scheme for Adaptive Multiresolution Classical/Path-Integral SimulationsKarsten Kreis, Mark E Tuckerman, Davide Donadio, et al.
The Journal of Chemical Physics|March 9, 2021
Open-boundary Hamiltonian adaptive resolution. From grand canonical to non-equilibrium molecular dynamics simulationsMaziar Heidari, Kurt Kremer, Ramin Golestanian, et al.
Plos Computational Biology|November 19, 2013
Mechanical and assembly units of viral capsids identified via quasi-rigid domain decompositionGuido Polles, Giuliana Indelicato, Raffaello Potestio, et al.
Frontiers in Molecular Biosciences|May 17, 2021
A Deep Graph Network-Enhanced Sampling Approach to Efficiently Explore the Space of Reduced Representations of ProteinsFederico Errica, Marco Giulini, Davide Bacciu, et al.
Scientific Reports|February 27, 2024
Quality assessment and community detection methods for anonymized mobility data in the Italian Covid contextJules Morand, Shoichi Yip, Yannis Velegrakis, et al.
Physical Review Letters|August 27, 2013
Monte carlo adaptive resolution simulation of multicomponent molecular liquidsRaffaello Potestio, Pep Español, Rafael Delgado-Buscalioni, et al.
Pageof 6