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Journal of Chemical Information and Modeling|November 19, 2024
Transparent Machine Learning Model to Understand Drug Permeability through the Blood-Brain BarrierHengjian Jia, Gabriele C SossoThe Journal of Chemical Physics|July 5, 2023
Combining machine learning and molecular simulations to predict the stability of amorphous drugsTrent Barnard, Gabriele C SossoPhysical Review. E|August 1, 2025
Graph-based descriptors for condensed matterAn Wang, Gabriele C SossoJournal of Chemical Information and Modeling|March 30, 2023
Generating Protein Folding Trajectories Using Contact-Map-Driven Directed WalksZiad Fakhoury, Gabriele C Sosso, Scott HabershonJournal of Chemical Theory and Computation|September 4, 2024
Contact-Map-Driven Exploration of Heterogeneous Protein-Folding PathsZiad Fakhoury, Gabriele C Sosso, Scott HabershonThe Journal of Chemical Physics|June 5, 2026
On the subtleties of cluster construction when defining crystalline nuclei in atomistic simulationsKatarina E Blow, David Quigley, Gabriele C SossoThe Journal of Chemical Physics|May 8, 2025
You reap what you sow: On the impact of nuclei morphology on seeded molecular dynamics simulationsKatarina E Blow, Gabriele C Sosso, David QuigleyThe Journal of Chemical Physics|August 3, 2021
The seven deadly sins: When computing crystal nucleation rates, the devil is in the detailsKatarina E Blow, David Quigley, Gabriele C SossoThe Journal of Physical Chemistry. B|February 8, 2020
Insights into the Emerging Networks of Voids in Simulated Supercooled WaterNarjes Ansari, Berk Onat, Gabriele C Sosso, et al.The Journal of Chemical Physics|August 24, 2018
Heterogeneous seeded molecular dynamics as a tool to probe the ice nucleating ability of crystalline surfacesPhilipp Pedevilla, Martin Fitzner, Gabriele C Sosso, et al.Pageof 5