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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 transferRiccardo Chelli, Marco Pagliai, Piero Procacci, et al.
The Journal of Physical Chemistry. B|July 21, 2006
Self-healing umbrella sampling: a non-equilibrium approach for quantitative free energy calculationsSimone Marsili, Alessandro Barducci, Riccardo Chelli, et al.
The Journal of Chemical Physics|December 3, 2005
Behavior of polarizable models in presence of strong electric fields. I. Origin of nonlinear effects in water point-charge systemsRiccardo Chelli, Alessandro Barducci, Luca Bellucci, et al.
The Journal of Chemical Physics|March 25, 2011
Liquid structure of 1-alkyl-3-methylimidazolium-hexafluorophosphates by wide angle x-ray and neutron scattering and molecular dynamicsMarina Macchiagodena, Lorenzo Gontrani, Fabio Ramondo, et al.
The Journal of Physical Chemistry. B|October 31, 2012
Liquid structure of 1-ethyl-3-methylimidazolium alkyl sulfates by X-ray scattering and molecular dynamicsMarina Macchiagodena, Fabio Ramondo, Alessandro Triolo, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|May 9, 2024
The Role of Lysozyme in the Formation of Bioinspired Silicon DioxideMarina Macchiagodena, Marco Fragai, Angelo Gallo, 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 levelSimone Marsili, Giorgio Federico Signorini, Riccardo Chelli, et al.
The Journal of Chemical Physics|November 10, 2006
Crooks equation for steered molecular dynamics using a Nosé-Hoover thermostatPiero Procacci, Simone Marsili, Alessandro Barducci, et al.
Biopolymers|June 16, 2010
Conformational structure of the MOG-derived peptide 101-108 in solutionCarlo Guardiani, Simone Marsili, Stefania Marchetti, et al.
The Journal of Physical Chemistry. B|April 24, 2012
Conformational landscape of N-glycosylated peptides detecting autoantibodies in multiple sclerosis, revealed by Hamiltonian replica exchangeCarlo Guardiani, Giorgio F Signorini, Roberto Livi, et al.
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