NICOLINI, PAOLO
NICOLINI, PAOLO
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Exploiting configurational freezing in nonequilibrium Monte Carlo simulations
2011 Nicolini, Paolo; Frezzato, Diego; Chelli, Riccardo
Hummer and Szabo-like potential of mean force estimator for bidirectional nonequilibrium pulling experiments/simulations
2010 Nicolini, Paolo; Procacci, Piero; Chelli, Riccardo
Improving fast-switching free energy estimates by dynamical freezing
2009 Nicolini, Paolo; Chelli, Riccardo
Toward quantitative estimates of binding affinities for protein-ligand systems involving large inhibitor compounds: A steered molecular dynamics simulation route
2013 Nicolini, Paolo; Frezzato, Diego; Gellini, Cristina; Bizzarri, Marco; Chelli, Riccardo
Titolo | Data di pubblicazione | Autore(i) | File |
---|---|---|---|
Exploiting configurational freezing in nonequilibrium Monte Carlo simulations | 2011 | Nicolini, Paolo; Frezzato, Diego; Chelli, Riccardo | |
Hummer and Szabo-like potential of mean force estimator for bidirectional nonequilibrium pulling experiments/simulations | 2010 | Nicolini, Paolo; Procacci, Piero; Chelli, Riccardo | |
Improving fast-switching free energy estimates by dynamical freezing | 2009 | Nicolini, Paolo; Chelli, Riccardo | |
Toward quantitative estimates of binding affinities for protein-ligand systems involving large inhibitor compounds: A steered molecular dynamics simulation route | 2013 | Nicolini, Paolo; Frezzato, Diego; Gellini, Cristina; Bizzarri, Marco; Chelli, Riccardo |