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Journal of Chemical Theory and Computation|May 7, 2019
OPEP6: A New Constant-pH Molecular Dynamics Simulation Scheme with OPEP Coarse-Grained Force FieldFernando Luís Barroso da Silva, Fabio Sterpone, Philippe DerreumauxThe Journal of Physical Chemistry. A|July 6, 2010
Nonadiabatic simulations of exciton dissociation in poly-p-phenylenevinylene oligomersMichael J Bedard-Hearn, Fabio Sterpone, Peter J RosskyThe Journal of Physical Chemistry. A|March 26, 2009
Nonadiabatic mixed quantum-classical dynamic simulation of pi-stacked oligophenylenevinylenesFabio Sterpone, Michael J Bedard-Hearn, Peter J RosskyJournal of Chemical Theory and Computation|November 25, 2014
Importance of the ion-pair interactions in the OPEP coarse-grained force field: parametrization and validationFabio Sterpone, Phuong H Nguyen, Maria Kalimeri, et al.The Journal of Physical Chemistry. B|January 21, 2010
Water hydrogen-bond dynamics around amino acids: the key role of hydrophilic hydrogen-bond acceptor groupsFabio Sterpone, Guillaume Stirnemann, James T Hynes, et al.ACS Chemical Neuroscience|March 7, 2022
Small Oligomers of Aβ42 Protein in the Bulk Solution with AlphaFold2Hubert Santuz, Phuong H Nguyen, Fabio Sterpone, et al.The Journal of Chemical Physics|March 6, 2026
Unveiling the entropic role of hydration water in SOD1 partitioning within FUS condensateLuis Enrique Coronas, Stepan Timr, Fabio Sterpone, et al.The Journal of Physical Chemistry. B|December 21, 2020
Deciphering the Structure of the Gramicidin A Channel in the Presence of AOT Reverse Micelles in Pentane Using Molecular Dynamics SimulationsStéphane Abel, Massimo MarchiThe Journal of Physical Chemistry Letters|August 12, 2015
Modeling the Self-Aggregation of Small AOT Reverse Micelles from First-PrinciplesMassimo Marchi, Stéphane AbelJournal of Chemical Theory and Computation|December 2, 2015
Dissecting the Hydrogen Bond: A Quantum Monte Carlo ApproachFabio Sterpone, Leonardo Spanu, Luca Ferraro, et al.Pageof 22