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Andrea Zen

Showing results (11-20 of 47) with videos related to

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BMC Structural Biology|August 10, 2010
Comparing interfacial dynamics in protein-protein complexes: an elastic network approachAndrea Zen, Cristian Micheletti, Ozlem Keskin, et al.
Journal of Chemical Theory and Computation|May 24, 2024
Beyond Single-Reference Fixed-Node Approximation in <i>Ab Initio</i> Diffusion Monte Carlo Using Antisymmetrized Geminal Power Applied to Systems with Hundreds of ElectronsKousuke Nakano, Sandro Sorella, Dario Alfè, et al.
The Journal of Chemical Physics|October 8, 2022
DMC-ICE13: Ambient and high pressure polymorphs of ice from diffusion Monte Carlo and density functional theoryFlaviano Della Pia, Andrea Zen, Dario Alfè, et al.
Protein Science : a Publication of the Protein Society|March 29, 2008
Correspondences between low-energy modes in enzymes: dynamics-based alignment of enzymatic functional familiesAndrea Zen, Vincenzo Carnevale, Arthur M Lesk, et al.
Journal of Chemical Theory and Computation|April 30, 2025
Basis Set Incompleteness Errors in Fixed-Node Diffusion Monte Carlo Calculations on Noncovalent InteractionsKousuke Nakano, Benjamin X Shi, Dario Alfè, et al.
The Journal of Chemical Physics|November 3, 2019
Interaction between water and carbon nanostructures: How good are current density functional approximations?Jan Gerit Brandenburg, Andrea Zen, Dario Alfè, et al.
The Journal of Chemical Physics|October 10, 2019
A new scheme for fixed node diffusion quantum Monte Carlo with pseudopotentials: Improving reproducibility and reducing the trial-wave-function biasAndrea Zen, Jan Gerit Brandenburg, Angelos Michaelides, et al.
Bioinformatics (Oxford, England)|June 3, 2009
Using dynamics-based comparisons to predict nucleic acid binding sites in proteins: an application to OB-fold domainsAndrea Zen, Cesira de Chiara, Annalisa Pastore, et al.
Physical Review Letters|August 9, 2024
How Accurate Are Simulations and Experiments for the Lattice Energies of Molecular Crystals?Flaviano Della Pia, Andrea Zen, Dario Alfè, et al.
Journal of Chemical Theory and Computation|March 31, 2015
Quantum Monte Carlo Treatment of the Charge Transfer and Diradical Electronic Character in a Retinal Chromophore Minimal ModelAndrea Zen, Emanuele Coccia, Samer Gozem, et al.
Pageof 5

Showing results (11-20 of 47) with videos related to

Sort By:
Pageof 5
BMC Structural Biology|August 10, 2010
Comparing interfacial dynamics in protein-protein complexes: an elastic network approachAndrea Zen, Cristian Micheletti, Ozlem Keskin, et al.
Journal of Chemical Theory and Computation|May 24, 2024
Beyond Single-Reference Fixed-Node Approximation in <i>Ab Initio</i> Diffusion Monte Carlo Using Antisymmetrized Geminal Power Applied to Systems with Hundreds of ElectronsKousuke Nakano, Sandro Sorella, Dario Alfè, et al.
The Journal of Chemical Physics|October 8, 2022
DMC-ICE13: Ambient and high pressure polymorphs of ice from diffusion Monte Carlo and density functional theoryFlaviano Della Pia, Andrea Zen, Dario Alfè, et al.
Protein Science : a Publication of the Protein Society|March 29, 2008
Correspondences between low-energy modes in enzymes: dynamics-based alignment of enzymatic functional familiesAndrea Zen, Vincenzo Carnevale, Arthur M Lesk, et al.
Journal of Chemical Theory and Computation|April 30, 2025
Basis Set Incompleteness Errors in Fixed-Node Diffusion Monte Carlo Calculations on Noncovalent InteractionsKousuke Nakano, Benjamin X Shi, Dario Alfè, et al.
The Journal of Chemical Physics|November 3, 2019
Interaction between water and carbon nanostructures: How good are current density functional approximations?Jan Gerit Brandenburg, Andrea Zen, Dario Alfè, et al.
The Journal of Chemical Physics|October 10, 2019
A new scheme for fixed node diffusion quantum Monte Carlo with pseudopotentials: Improving reproducibility and reducing the trial-wave-function biasAndrea Zen, Jan Gerit Brandenburg, Angelos Michaelides, et al.
Bioinformatics (Oxford, England)|June 3, 2009
Using dynamics-based comparisons to predict nucleic acid binding sites in proteins: an application to OB-fold domainsAndrea Zen, Cesira de Chiara, Annalisa Pastore, et al.
Physical Review Letters|August 9, 2024
How Accurate Are Simulations and Experiments for the Lattice Energies of Molecular Crystals?Flaviano Della Pia, Andrea Zen, Dario Alfè, et al.
Journal of Chemical Theory and Computation|March 31, 2015
Quantum Monte Carlo Treatment of the Charge Transfer and Diradical Electronic Character in a Retinal Chromophore Minimal ModelAndrea Zen, Emanuele Coccia, Samer Gozem, et al.
Pageof 5