Search research articles
Contact Us
Filters
Showing results (1-10 of 5) with videos related to
Page
of 1
Sort By:
Journal of Chemical Theory and Computation
|
October 30, 2025
Hamiltonian Replica Exchange Augmented with Diffusion-Based Generative Models and Importance Sampling to Assess Biomolecular Conformational Basins and Barriers
Zakarya Benayad, Guillaume Stirnemann
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
December 31, 2025
Deciphering the Molecular Mechanisms of Phosphoester Bond Formation in Abiotic Conditions With Reactive Neural Network Potentials
Zakarya Benayad, Rolf David, Guillaume Stirnemann
Proceedings of the National Academy of Sciences of the United States of America
|
May 29, 2024
Prebiotic chemical reactivity in solution with quantum accuracy and microsecond sampling using neural network potentials
Zakarya Benayad, Rolf David, Guillaume Stirnemann
The Journal of Physical Chemistry. B
|
October 6, 2022
Molecular Mechanisms of Phosphoester Bond Formation in Water Using Tight-Binding Ab Initio Molecular Dynamics
Zakarya Benayad, Matthias Bova Saint-André, Guillaume Stirnemann
Journal of Chemical Theory and Computation
|
December 14, 2020
Simulation of FUS Protein Condensates with an Adapted Coarse-Grained Model
Zakarya Benayad, Sören von Bülow, Lukas S Stelzl, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 5) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
October 30, 2025
Hamiltonian Replica Exchange Augmented with Diffusion-Based Generative Models and Importance Sampling to Assess Biomolecular Conformational Basins and Barriers
Zakarya Benayad, Guillaume Stirnemann
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
December 31, 2025
Deciphering the Molecular Mechanisms of Phosphoester Bond Formation in Abiotic Conditions With Reactive Neural Network Potentials
Zakarya Benayad, Rolf David, Guillaume Stirnemann
Proceedings of the National Academy of Sciences of the United States of America
|
May 29, 2024
Prebiotic chemical reactivity in solution with quantum accuracy and microsecond sampling using neural network potentials
Zakarya Benayad, Rolf David, Guillaume Stirnemann
The Journal of Physical Chemistry. B
|
October 6, 2022
Molecular Mechanisms of Phosphoester Bond Formation in Water Using Tight-Binding Ab Initio Molecular Dynamics
Zakarya Benayad, Matthias Bova Saint-André, Guillaume Stirnemann
Journal of Chemical Theory and Computation
|
December 14, 2020
Simulation of FUS Protein Condensates with an Adapted Coarse-Grained Model
Zakarya Benayad, Sören von Bülow, Lukas S Stelzl, et al.
Page
of 1