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The Journal of Chemical Physics
|
July 5, 2023
Combining machine learning and molecular simulations to predict the stability of amorphous drugs
Trent Barnard, Gabriele C Sosso
Journal of Chemical Information and Modeling
|
November 19, 2024
Transparent Machine Learning Model to Understand Drug Permeability through the Blood-Brain Barrier
Hengjian Jia, Gabriele C Sosso
Physical Review. E
|
August 1, 2025
Graph-based descriptors for condensed matter
An Wang, Gabriele C Sosso
Journal of Chemical Information and Modeling
|
March 30, 2023
Generating Protein Folding Trajectories Using Contact-Map-Driven Directed Walks
Ziad Fakhoury, Gabriele C Sosso, Scott Habershon
Journal of Chemical Theory and Computation
|
September 4, 2024
Contact-Map-Driven Exploration of Heterogeneous Protein-Folding Paths
Ziad Fakhoury, Gabriele C Sosso, Scott Habershon
The Journal of Chemical Physics
|
June 5, 2026
On the subtleties of cluster construction when defining crystalline nuclei in atomistic simulations
Katarina E Blow, David Quigley, Gabriele C Sosso
The Journal of Chemical Physics
|
May 8, 2025
You reap what you sow: On the impact of nuclei morphology on seeded molecular dynamics simulations
Katarina E Blow, Gabriele C Sosso, David Quigley
The Journal of Chemical Physics
|
August 3, 2021
The seven deadly sins: When computing crystal nucleation rates, the devil is in the details
Katarina E Blow, David Quigley, Gabriele C Sosso
The Journal of Physical Chemistry. B
|
February 8, 2020
Insights into the Emerging Networks of Voids in Simulated Supercooled Water
Narjes 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 surfaces
Philipp Pedevilla, Martin Fitzner, Gabriele C Sosso, et al.
Page
of 5
Search research articles
Search
Showing results (1-10 of 47) with videos related to
Sort By:
Page
of 5
The Journal of Chemical Physics
|
July 5, 2023
Combining machine learning and molecular simulations to predict the stability of amorphous drugs
Trent Barnard, Gabriele C Sosso
Journal of Chemical Information and Modeling
|
November 19, 2024
Transparent Machine Learning Model to Understand Drug Permeability through the Blood-Brain Barrier
Hengjian Jia, Gabriele C Sosso
Physical Review. E
|
August 1, 2025
Graph-based descriptors for condensed matter
An Wang, Gabriele C Sosso
Journal of Chemical Information and Modeling
|
March 30, 2023
Generating Protein Folding Trajectories Using Contact-Map-Driven Directed Walks
Ziad Fakhoury, Gabriele C Sosso, Scott Habershon
Journal of Chemical Theory and Computation
|
September 4, 2024
Contact-Map-Driven Exploration of Heterogeneous Protein-Folding Paths
Ziad Fakhoury, Gabriele C Sosso, Scott Habershon
The Journal of Chemical Physics
|
June 5, 2026
On the subtleties of cluster construction when defining crystalline nuclei in atomistic simulations
Katarina E Blow, David Quigley, Gabriele C Sosso
The Journal of Chemical Physics
|
May 8, 2025
You reap what you sow: On the impact of nuclei morphology on seeded molecular dynamics simulations
Katarina E Blow, Gabriele C Sosso, David Quigley
The Journal of Chemical Physics
|
August 3, 2021
The seven deadly sins: When computing crystal nucleation rates, the devil is in the details
Katarina E Blow, David Quigley, Gabriele C Sosso
The Journal of Physical Chemistry. B
|
February 8, 2020
Insights into the Emerging Networks of Voids in Simulated Supercooled Water
Narjes 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 surfaces
Philipp Pedevilla, Martin Fitzner, Gabriele C Sosso, et al.
Page
of 5