Search research articles
Contact Us
Filters
Showing results (41-50 of 65) with videos related to
Page
of 7
Sort By:
The Journal of Chemical Physics
|
June 14, 2013
Path-breaking schemes for nonequilibrium free energy calculations
Riccardo Chelli, Cristina Gellini, Giangaetano Pietraperzia, et al.
The Journal of Chemical Physics
|
March 4, 2005
Polarization response of water and methanol investigated by a polarizable force field and density functional theory calculations: implications for charge transfer
Riccardo Chelli, Marco Pagliai, Piero Procacci, et al.
The Journal of Chemical Physics
|
February 23, 2015
Annealed importance sampling with constant cooling rate
Edoardo Giovannelli, Gianni Cardini, Cristina Gellini, et al.
The Journal of Chemical Physics
|
November 10, 2006
Crooks equation for steered molecular dynamics using a Nosé-Hoover thermostat
Piero Procacci, Simone Marsili, Alessandro Barducci, et al.
Journal of Computational Chemistry
|
October 14, 2009
ORAC: a molecular dynamics simulation program to explore free energy surfaces in biomolecular systems at the atomistic level
Simone Marsili, Giorgio Federico Signorini, Riccardo Chelli, et al.
The Journal of Physical Chemistry. B
|
April 20, 2019
Imidazole in Aqueous Solution: Hydrogen Bond Interactions and Structural Reorganization with Concentration
Marco Pagliai, Giada Funghi, Dario Vassetti, et al.
Journal of Chemical Theory and Computation
|
October 11, 2017
Binding Free Energies of Host-Guest Systems by Nonequilibrium Alchemical Simulations with Constrained Dynamics: Theoretical Framework
Edoardo Giovannelli, Piero Procacci, Gianni Cardini, et al.
The Journal of Physical Chemistry. A
|
October 31, 2017
Insights on the Realgar Crystal Under Pressure from XP-PCM and Periodic Model Calculations
Chiara Caratelli, Roberto Cammi, Riccardo Chelli, et al.
Journal of Chemical Theory and Computation
|
November 19, 2015
Convective Replica-Exchange in Ergodic Regimes
Giorgio F Signorini, Edoardo Giovannelli, Yannick G Spill, et al.
Journal of the American Chemical Society
|
February 24, 2006
Metadynamics simulation of prion protein: beta-structure stability and the early stages of misfolding
Alessandro Barducci, Riccardo Chelli, Piero Procacci, et al.
Page
of 7
Search research articles
Search
Showing results (41-50 of 65) with videos related to
Sort By:
Page
of 7
The Journal of Chemical Physics
|
June 14, 2013
Path-breaking schemes for nonequilibrium free energy calculations
Riccardo Chelli, Cristina Gellini, Giangaetano Pietraperzia, et al.
The Journal of Chemical Physics
|
March 4, 2005
Polarization response of water and methanol investigated by a polarizable force field and density functional theory calculations: implications for charge transfer
Riccardo Chelli, Marco Pagliai, Piero Procacci, et al.
The Journal of Chemical Physics
|
February 23, 2015
Annealed importance sampling with constant cooling rate
Edoardo Giovannelli, Gianni Cardini, Cristina Gellini, et al.
The Journal of Chemical Physics
|
November 10, 2006
Crooks equation for steered molecular dynamics using a Nosé-Hoover thermostat
Piero Procacci, Simone Marsili, Alessandro Barducci, et al.
Journal of Computational Chemistry
|
October 14, 2009
ORAC: a molecular dynamics simulation program to explore free energy surfaces in biomolecular systems at the atomistic level
Simone Marsili, Giorgio Federico Signorini, Riccardo Chelli, et al.
The Journal of Physical Chemistry. B
|
April 20, 2019
Imidazole in Aqueous Solution: Hydrogen Bond Interactions and Structural Reorganization with Concentration
Marco Pagliai, Giada Funghi, Dario Vassetti, et al.
Journal of Chemical Theory and Computation
|
October 11, 2017
Binding Free Energies of Host-Guest Systems by Nonequilibrium Alchemical Simulations with Constrained Dynamics: Theoretical Framework
Edoardo Giovannelli, Piero Procacci, Gianni Cardini, et al.
The Journal of Physical Chemistry. A
|
October 31, 2017
Insights on the Realgar Crystal Under Pressure from XP-PCM and Periodic Model Calculations
Chiara Caratelli, Roberto Cammi, Riccardo Chelli, et al.
Journal of Chemical Theory and Computation
|
November 19, 2015
Convective Replica-Exchange in Ergodic Regimes
Giorgio F Signorini, Edoardo Giovannelli, Yannick G Spill, et al.
Journal of the American Chemical Society
|
February 24, 2006
Metadynamics simulation of prion protein: beta-structure stability and the early stages of misfolding
Alessandro Barducci, Riccardo Chelli, Piero Procacci, et al.
Page
of 7