Riccardo Chelli

发表

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, 2009, J. Comput. Chem..

Journal of Theoretical and Computational Science: Open Access, A Bridge to Link Knowledge from Chemistry, Physics, Biology and More

Riccardo Chelli, 2016 .

Software News and Updates Retrieval of Spectral and Dynamic Properties from Two-Dimensional Infrared Pump-Probe Experiments

Riccardo Chelli, Victor V. Volkov, Roberto Righini, 2008 .

Optimal Weights in Serial Generalized-Ensemble Simulations.

Riccardo Chelli, R. Chelli, 2010, Journal of chemical theory and computation.

Gathering Announcement of Global Summit on Humanoid Robotics and IOT

Riccardo Chelli, 2020 .

Serial Generalized Ensemble Simulations of Biomolecules with Self-Consistent Determination of Weights.

Riccardo Chelli, Giorgio F. Signorini, Giorgio F Signorini, 2012, Journal of chemical theory and computation.

Computing Free Energy Differences of Configurational Basins.

Gianni Cardini, Riccardo Chelli, Edoardo Giovannelli, 2015, Journal of chemical theory and computation.

Toward quantitative estimates of binding affinities for protein–ligand systems involving large inhibitor compounds: A steered molecular dynamics simulation route

Riccardo Chelli, Diego Frezzato, Paolo Nicolini, 2013, J. Comput. Chem..

Retrieval of spectral and dynamic properties from two‐dimensional infrared pump‐probe experiments

Riccardo Chelli, Victor V. Volkov, Roberto Righini, 2008, J. Comput. Chem..

Implementations of nonequilibrium methods for free energy calculations: forthcoming developments of the ORAC molecular dynamics simulation code

Gianni Cardini, Riccardo Chelli, Piero Procacci, 2015 .

Molecular dynamics of glass-forming liquids: Structure and dynamics of liquid metatoluidine

Gianni Cardini, Riccardo Chelli, Piero Procacci, 2002 .

The fast dynamics of benzene in the liquid phase. Part I. Optical Kerr effect experimental investigation

Gianni Cardini, Riccardo Chelli, Roberto Righini, 2001 .

Numerical verification of the generalized Crooks nonequilibrium work theorem for non-Hamiltonian molecular dynamics simulations.

Simone Marsili, Riccardo Chelli, Piero Procacci, 2007, The Journal of chemical physics.

Dynamics of liquid benzene: a cage analysis.

Riccardo Chelli, Diego Frezzato, Andrea Magro, 2005, The Journal of chemical physics.

Domain formation in lipid bilayers probed by two-dimensional infrared spectroscopy.

Riccardo Chelli, Roberto Righini, R. Chelli, 2006, The journal of physical chemistry. B.

Glycerol condensed phases Part II.A molecular dynamics study of the conformational structure and hydrogen bonding

Gianni Cardini, Riccardo Chelli, Piero Procacci, 1999 .

Metadynamics simulation of prion protein: beta-structure stability and the early stages of misfolding.

Francesco L Gervasio, Riccardo Chelli, Piero Procacci, 2006, Journal of the American Chemical Society.

Behavior of polarizable models in presence of strong electric fields. I. Origin of nonlinear effects in water point-charge systems.

Riccardo Chelli, Piero Procacci, Alessandro Barducci, 2005, The Journal of chemical physics.

Excited state photoelectron spectroscopy of anisole

Gianni Cardini, Riccardo Chelli, C. Eisenhardt, 2001 .

Towards a polarizable force field for molecular liquids

Riccardo Chelli, Piero Procacci, Roberto Righini, 2002 .

Self-healing umbrella sampling: a non-equilibrium approach for quantitative free energy calculations.

Simone Marsili, Riccardo Chelli, Piero Procacci, 2006, The journal of physical chemistry. B.

Is the T-Shaped Toluene Dimer a Stable Intermolecular Complex?

Francesco Luigi Gervasio, Riccardo Chelli, Piero Procacci, 2002 .

Generalization of the Jarzynski and Crooks nonequilibrium work theorems in molecular dynamics simulations.

Simone Marsili, Riccardo Chelli, Piero Procacci, 2007, Physical review. E, Statistical, nonlinear, and soft matter physics.

Electrical response in chemical potential equalization schemes

Riccardo Chelli, Piero Procacci, Roberto Righini, 1999 .

A molecular dynamics study of translation-rotation coupling in the NaCN plastic crystal

Gianni Cardini, Riccardo Chelli, R. Chelli, 1997 .

Calculation of elastic coherent neutron scattering spectra from molecular dynamics data: The NaCN plastic crystal

Gianni Cardini, Riccardo Chelli, R. Chelli, 1997 .

Crooks equation for steered molecular dynamics using a Nosé-Hoover thermostat.

Simone Marsili, Riccardo Chelli, Piero Procacci, 2006, The Journal of chemical physics.

Thermodynamics of stacking interactions in proteins.

Simone Marsili, Riccardo Chelli, Piero Procacci, 2008, Physical chemistry chemical physics : PCCP.

Inter‐residue and solvent‐residue interactions in proteins: A statistical study on experimental structures

Francesco Luigi Gervasio, Riccardo Chelli, Piero Procacci, 2004, Proteins.

Structure of liquid formic acid investigated by first principle and classical molecular dynamics simulations.

Riccardo Chelli, Roberto Righini, R. Chelli, 2005, The journal of physical chemistry. B.

Misfolding pathways of the prion protein probed by molecular dynamics simulations.

Riccardo Chelli, Piero Procacci, Alessandro Barducci, 2005, Biophysical journal.

Simulated structure, dynamics, and vibrational spectra of liquid benzene

Gianni Cardini, Riccardo Chelli, Piero Procacci, 2000 .

Energetic Fitness of Histidine Protonation States in PDB Structures

Riccardo Chelli, Piero Procacci, Giorgio F. Signorini, 2004 .

Nonequilibrium work relations for systems subject to mechanical and thermal changes.

Riccardo Chelli, R. Chelli, 2009, The Journal of chemical physics.

A potential of mean force estimator based on nonequilibrium work exponential averages.

Riccardo Chelli, Piero Procacci, P. Procacci, 2009, Physical chemistry chemical physics : PCCP.

II. Dissociation free energies in drug-receptor systems via nonequilibrium alchemical simulations: application to the FK506-related immunophilin ligands.

Riccardo Chelli, Piero Procacci, Francesca Nerattini, 2016, Physical chemistry chemical physics : PCCP.

Conformational Distribution of Gas-phase Glycerol

Francesco Luigi Gervasio, Gianni Cardini, Riccardo Chelli, 2000 .

The nature of intermolecular interactions between aromatic amino acid residues

Francesco Luigi Gervasio, Riccardo Chelli, Piero Procacci, 2002, Proteins.

Key role of the polarization anisotropy of water in modeling classical polarizable force fields.

Nohad Gresh, Riccardo Chelli, Piero Procacci, 2007, The journal of physical chemistry. A.

Comment to “Calculation of the Dipole Moment for Polypeptides Using the Generalized Born-Electronegativity Equalization Method: Results in Vacuum and Continuum-Dielectric Solvent”

Riccardo Chelli, Piero Procacci, P. Procacci, 2004 .

Comment on “Classical polarizable force fields parametrized from ab initio calculations” [J. Chem. Phys. 117, 1416 (2002)]

Riccardo Chelli, Piero Procacci, P. Procacci, 2003 .

The Ultrafast Dynamics of Liquid 1-octanol Measured by Femtosecond Optical Kerr Effect

Riccardo Chelli, Paolo Foggi, Marco Paolantoni, 2005 .

Hydration and hydrogen bonding of carbonyls in dimyristoyl-phosphatidylcholine bilayer.

Riccardo Chelli, Yuji Takaoka, Roberto Righini, 2006, Journal of the American Chemical Society.

Approximating nonequilibrium processes using a collection of surrogate diffusion models.

Riccardo Chelli, Christopher P Calderon, 2008, The Journal of chemical physics.

Calculation of the potential of mean force from nonequilibrium measurements via maximum likelihood estimators.

Simone Marsili, Riccardo Chelli, Piero Procacci, 2007, Physical review. E, Statistical, nonlinear, and soft matter physics.

Dynamical and structural correlation in supercooled liquids: A molecular dynamics investigation of m-toluidine

Gianni Cardini, Riccardo Chelli, Piero Procacci, 2003 .

Dynamics and structure of liquid and supercooled liquid m-toluidine investigated by molecular dynamics simulations

Gianni Cardini, Riccardo Chelli, Piero Procacci, 2003 .

Glycerol condensed phases Part I. A molecular dynamics study

Gianni Cardini, Riccardo Chelli, Piero Procacci, 1999 .

Local Sampling in Steered Monte Carlo Simulations Decreases Dissipation and Enhances Free Energy Estimates via Nonequilibrium Work Theorems.

Riccardo Chelli, R. Chelli, 2012, Journal of chemical theory and computation.

The fast dynamics of benzene in the liquid phase. Part II. A molecular dynamics simulation

Gianni Cardini, Riccardo Chelli, Roberto Righini, 2001 .

Density Functional Calculation of Structural and Vibrational Properties of Glycerol

Francesco Luigi Gervasio, Riccardo Chelli, Piero Procacci, 2000 .