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Imidazole in Aqueous Solution: Hydrogen Bond Interactions and Structural Reorganization with Concentration Pagliai M, Funghi G, Vassetti D, Procacci P, Chelli R, Cardini G Journal of Physical Chemistry B, 123(18), 4055, 2019 |
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Free Energy Reconstruction in Bidirectional Force Spectroscopy Experiments: The Effect of the Device Stiffness (vol 114, pg 2509, 2010) Marsili S, Procacci P Journal of Physical Chemistry B, 120(28), 7037, 2016 |
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Conformational Landscape of N-Glycosylated Peptides Detecting Autoantibodies in Multiple Sclerosis, Revealed by Hamiltonian Replica Exchange Guardiani C, Signorini GF, Livi R, Papini AM, Procacci P Journal of Physical Chemistry B, 116(18), 5458, 2012 |
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Intraligand Hydrophobic Interactions Rationalize Drug Affinities for Peptidyl-Prolyl Cis-Trans Isomerase Protein Bizzarri M, Marsili S, Procacci P Journal of Physical Chemistry B, 115(19), 6193, 2011 |
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Free Energy Reconstruction in Bidirectional Force Spectroscopy Experiments: The Effect of the Device Stiffness Marsili S, Procacci P Journal of Physical Chemistry B, 114(7), 2509, 2010 |
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Hummer and Szabo-like Potential of Mean Force Estimator for Bidirectional Nonequilibrium Pulling Experiments/Simulations Nicolini P, Procacci P, Chelli R Journal of Physical Chemistry B, 114(29), 9546, 2010 |
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Fragment 101-108 of Myelin Oligodendrocyte Glycoprotein: A Possible Lead Compound for Multiple Sclerosis Guardiani C, Marsili S, Procacci P, Livi R Journal of the American Chemical Society, 131(47), 17176, 2009 |
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Key role of the polarization anisotropy of water in modeling classical polarizable force fields Piquemal JP, Chelli R, Procacci P, Gresh N Journal of Physical Chemistry A, 111(33), 8170, 2007 |
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Comment on "From subtle to substantial: Role of metal ions on pi-pi interactions" Chelli R, Procacci P Journal of Physical Chemistry B, 110(20), 10204, 2006 |
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Self-healing umbrella sampling: A non-equilibrium approach for quantitative free energy calculations Marsili S, Barducci A, Chelli R, Procacci P, Schettino V Journal of Physical Chemistry B, 110(29), 14011, 2006 |