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Giordano Mancini

Showing results (1-10 of 74) with videos related to

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Plos One|September 29, 2015
F429 Regulation of Tunnels in Cytochrome P450 2B4: A Top Down Study of Multiple Molecular Dynamics SimulationsGiordano Mancini, Costantino Zazza
Theoretical Biology Forum|March 8, 2018
Cherry-picking functionally relevant substates from long md trajectories using a stratified sampling approachBalasubramanian Chandramouli, Giordano Mancini
Physical Chemistry Chemical Physics : PCCP|August 4, 2021
Integration of theory, simulation, artificial intelligence and virtual reality: a four-pillar approach for reconciling accuracy and interpretability in computational spectroscopyVincenzo Barone, Cristina Puzzarini, Giordano Mancini
Journal of Chemical Theory and Computation|November 7, 2015
Combining the Fluctuating Charge Method, Non-Periodic Boundary Conditions and Meta-Dynamics: Aqua Ions as case studiesGiordano Mancini, Giuseppe Brancato, Vincenzo Barone
ACS Omega|April 27, 2022
Development, Validation, and Pilot Application of a Generalized Fluctuating Charge Model for Computational Spectroscopy in SolutionVincenzo Barone, Ivan Carnimeo, Giordano Mancini, et al.
The Journal of Physical Chemistry. A|October 25, 2008
A coupled molecular dynamics and XANES data analysis investigation of aqueous cadmium(II)Paola D'Angelo, Valentina Migliorati, Giordano Mancini, et al.
Physical Chemistry Chemical Physics : PCCP|October 7, 2016
Accurate prediction of bulk properties in hydrogen bonded liquids: amides as case studiesMarina Macchiagodena, Giordano Mancini, Marco Pagliai, et al.
Journal of Chemical Theory and Computation|February 2, 2023
Benchmark Structures and Conformational Landscapes of Amino Acids in the Gas Phase: A Joint Venture of Machine Learning, Quantum Chemistry, and Rotational SpectroscopyVincenzo Barone, Marco Fusè, Federico Lazzari, et al.
Physical Chemistry Chemical Physics : PCCP|December 7, 2010
Conformational analysis and UV/Vis spectroscopic properties of a rotaxane-based molecular machine in acetonitrile dilute solution: when simulations meet experimentsGiordano Mancini, Costantino Zazza, Massimiliano Aschi, et al.
Journal of Chemical Information and Modeling|April 10, 2020
Molecular Perception for Visualization and Computation: The Proxima LibraryFederico Lazzari, Andrea Salvadori, Giordano Mancini, et al.
Pageof 8

Showing results (1-10 of 74) with videos related to

Sort By:
Pageof 8
Plos One|September 29, 2015
F429 Regulation of Tunnels in Cytochrome P450 2B4: A Top Down Study of Multiple Molecular Dynamics SimulationsGiordano Mancini, Costantino Zazza
Theoretical Biology Forum|March 8, 2018
Cherry-picking functionally relevant substates from long md trajectories using a stratified sampling approachBalasubramanian Chandramouli, Giordano Mancini
Physical Chemistry Chemical Physics : PCCP|August 4, 2021
Integration of theory, simulation, artificial intelligence and virtual reality: a four-pillar approach for reconciling accuracy and interpretability in computational spectroscopyVincenzo Barone, Cristina Puzzarini, Giordano Mancini
Journal of Chemical Theory and Computation|November 7, 2015
Combining the Fluctuating Charge Method, Non-Periodic Boundary Conditions and Meta-Dynamics: Aqua Ions as case studiesGiordano Mancini, Giuseppe Brancato, Vincenzo Barone
ACS Omega|April 27, 2022
Development, Validation, and Pilot Application of a Generalized Fluctuating Charge Model for Computational Spectroscopy in SolutionVincenzo Barone, Ivan Carnimeo, Giordano Mancini, et al.
The Journal of Physical Chemistry. A|October 25, 2008
A coupled molecular dynamics and XANES data analysis investigation of aqueous cadmium(II)Paola D'Angelo, Valentina Migliorati, Giordano Mancini, et al.
Physical Chemistry Chemical Physics : PCCP|October 7, 2016
Accurate prediction of bulk properties in hydrogen bonded liquids: amides as case studiesMarina Macchiagodena, Giordano Mancini, Marco Pagliai, et al.
Journal of Chemical Theory and Computation|February 2, 2023
Benchmark Structures and Conformational Landscapes of Amino Acids in the Gas Phase: A Joint Venture of Machine Learning, Quantum Chemistry, and Rotational SpectroscopyVincenzo Barone, Marco Fusè, Federico Lazzari, et al.
Physical Chemistry Chemical Physics : PCCP|December 7, 2010
Conformational analysis and UV/Vis spectroscopic properties of a rotaxane-based molecular machine in acetonitrile dilute solution: when simulations meet experimentsGiordano Mancini, Costantino Zazza, Massimiliano Aschi, et al.
Journal of Chemical Information and Modeling|April 10, 2020
Molecular Perception for Visualization and Computation: The Proxima LibraryFederico Lazzari, Andrea Salvadori, Giordano Mancini, et al.
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