Author

Chelli R

Department of Chemistry, University of Florence, Italy - Cited by 3,564

Biography

Riccardo Chelli is researcher in the Department of Chemistry in the University of Florence located in Italy. She has got international experience includes various programs, contributions and participation in different countries for diverse fields of study.
Title
Cited by
Year
ORAC: A molecular dynamics simulation program to explore free energy surfaces in biomolecular systems at the atomistic level
S Marsili, GF Signorini, R Chelli, M Marchi, P ProcacciJournal of computational chemistry 31 (5), 1106-1116, 2010201
102
2010
Toward quantitative estimates of binding affinities for protein–ligand systems involving large inhibitor compounds: A steered molecular dynamics simulation route
P Nicolini, D Frezzato, C Gellini, M Bizzarri, R ChelliJournal of computational chemistry 34 (18), 1561-1576, 2013201
43
2013
A potential of mean force estimator based on nonequilibrium work exponential averages
R Chelli, P ProcacciPhysical Chemistry Chemical Physics 11 (8), 1152-1158, 2009200
43
2009
II. Dissociation free energies in drug–receptor systems via nonequilibrium alchemical simulations: application to the FK506-related immunophilin ligands
F Nerattini, R Chelli, P ProcacciPhysical Chemistry Chemical Physics 18 (22), 15005-15018, 2016201
41
2016
Statistical mechanics of ligand–receptor noncovalent association, revisited: Binding site and standard state volumes in modern alchemical theories
P Procacci, R ChelliJournal of Chemical Theory and Computation 13 (5), 1924-1933, 2017201
39
2017
Exploiting configurational freezing in nonequilibrium Monte Carlo simulations
P Nicolini, D Frezzato, R ChelliJournal of Chemical Theory and Computation 7 (3), 582-593, 2011201
35
2011
Optimal weights in serial generalized-ensemble simulations
R ChelliJournal of Chemical Theory and Computation 6 (7), 1935-1950, 2010201
30
2010
Path-breaking schemes for nonequilibrium free energy calculations
R Chelli, C Gellini, G Pietraperzia, E Giovannelli, G CardiniThe Journal of Chemical Physics 138 (21), 2013201
28
2013
Local sampling in steered Monte Carlo simulations decreases dissipation and enhances free energy estimates via nonequilibrium work theorems
R ChelliJournal of chemical theory and computation 8 (11), 4040-4052, 2012201
28
2012
Indigo chromophores and pigments: Structure and dynamics
VV Volkov, R Chelli, R Righini, CC PerryDyes and Pigments 172, 107761, 2020202
25
2020
Serial generalized ensemble simulations of biomolecules with self-consistent determination of weights
R Chelli, GF SignoriniJournal of chemical theory and computation 8 (3), 830-842, 2012201
23
2012
Hummer and Szabo-like potential of mean force estimator for bidirectional nonequilibrium pulling experiments/simulations
P Nicolini, P Procacci, R ChelliThe Journal of Physical Chemistry B 114 (29), 9546-9554, 2010201
21
2010
Improving fast-switching free energy estimates by dynamical freezing
P Nicolini, R ChelliPhysical Review E 80 (4), 041124, 090
20
2009
Nonequilibrium work relations for systems subject to mechanical and thermal changes
R ChelliThe Journal of chemical physics 130 (5), 2009200
18
2009
Structural insights into the osteopontin-aptamer complex by molecular dynamics simulations
G La Penna, R ChelliFrontiers in chemistry 6, 2, 2018201
17
2018
Retrieval of spectral and dynamic properties from two‐dimensional infrared pump‐probe experiments
R Chelli, VV Volkov, R RighiniJournal of computational chemistry 29 (9), 07-16, 2008200
15
2008
Two-dimensional infrared spectroscopy of a structured liquid: Neat formamide
M Lima, R Chelli, VV Volkov, R RighiniThe Journal of chemical physics 130 (20), 2009200
15
2009
Tuning the emission properties of fluorescent ligands by changing pH: the unusual case of an acridine-containing polyamine macrocycle
S Puccioni, C Bazzicalupi, A Bencini, C Giorgi, B Valtancoli, G De Filippo, ...The Journal of Physical Chemistry A 117 (18), 3798-3808, 2013201
15
2013
Polyamine− polycarboxylate metal complexes with different biological effectiveness as nitric oxide scavengers. Clues for drug design
V Bambagioni, D Bani, A Bencini, T Biver, M Cantore, R Chelli, L Cinci, ...Journal of medicinal chemistry 51 (11), 3250-3260, 2008200
14
2008
Binding free energies of host–guest systems by nonequilibrium alchemical simulations with constrained dynamics: Illustrative calculations and numerical validation
E Giovannelli, M Cioni, P Procacci, G Cardini, M Pagliai, V Volkov, ...Journal of Chemical Theory and Computation 13 (12), 5887-5899, 2017201
14
2017

Referred From: https://scholar.google.it/citations?user=Uxtgcu0AAAAJ&hl=it

Cited by
Citations 3564
h-index 34
i10-index 71
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