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The Journal of Chemical Physics
|
October 27, 2016
Communication: Role of explicit water models in the helix folding/unfolding processes
Ferruccio Palazzesi, Matteo Salvalaglio, Alessandro Barducci, et al.
Nanoscale
|
February 6, 2025
Stepwise kinetics of the early-stage nucleation in chiral perovskites <i>via ab initio</i> molecular dynamics and free-energy calculations
Mariagrazia Fortino, Gioacchino Schifino, Matteo Salvalaglio, et al.
Journal of Chemical Theory and Computation
|
July 3, 2024
Unveiling Solvent Effects on β-Scissions through Metadynamics and Mean Force Integration
Francesco Serse, Antoniu Bjola, Matteo Salvalaglio, et al.
Journal of Chemical Theory and Computation
|
February 17, 2022
Modeling the Structure and Interactions of Intrinsically Disordered Peptides with Multiple Replica, Metadynamics-Based Sampling Methods and Force-Field Combinations
Lunna Li, Tommaso Casalini, Paolo Arosio, et al.
The Journal of Chemical Physics
|
March 12, 2026
Committor-regularized learning of differentiable collective variables from non-differentiable structural descriptors
Florian M Dietrich, Michael A Bellucci, Matteo Salvalaglio
Industrial & Engineering Chemistry Research
|
January 20, 2025
Solution Thermodynamics of l-Glutamic Acid Polymorphs from Finite-Sized Molecular Dynamics Simulations
Fabienne Bachtiger, Aliff Rahimee, Lunna Li, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
January 22, 2015
Kinetics of protein-ligand unbinding: Predicting pathways, rates, and rate-limiting steps
Pratyush Tiwary, Vittorio Limongelli, Matteo Salvalaglio, et al.
Journal of Chemical Theory and Computation
|
December 4, 2025
Sampling High-Dimensional Conformational Free Energy Landscapes of Active Pharmaceutical Ingredients
Alexandre Ferreira, Rui Guo, Ivan Marziano, et al.
The Journal of Chemical Physics
|
February 4, 2025
Unveiling the face-dependent ice growth kinetics: Insights from molecular dynamics on the basal and prism surfaces
Jihong Shi, Maxwell Fulford, Matteo Salvalaglio, et al.
Journal of the American Chemical Society
|
June 16, 2022
Understanding Metal-Organic Framework Nucleation from a Solution with Evolving Graphs
Loukas Kollias, Roger Rousseau, Vassiliki-Alexandra Glezakou, et al.
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Search research articles
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Showing results (21-30 of 78) with videos related to
Sort By:
Page
of 8
The Journal of Chemical Physics
|
October 27, 2016
Communication: Role of explicit water models in the helix folding/unfolding processes
Ferruccio Palazzesi, Matteo Salvalaglio, Alessandro Barducci, et al.
Nanoscale
|
February 6, 2025
Stepwise kinetics of the early-stage nucleation in chiral perovskites <i>via ab initio</i> molecular dynamics and free-energy calculations
Mariagrazia Fortino, Gioacchino Schifino, Matteo Salvalaglio, et al.
Journal of Chemical Theory and Computation
|
July 3, 2024
Unveiling Solvent Effects on β-Scissions through Metadynamics and Mean Force Integration
Francesco Serse, Antoniu Bjola, Matteo Salvalaglio, et al.
Journal of Chemical Theory and Computation
|
February 17, 2022
Modeling the Structure and Interactions of Intrinsically Disordered Peptides with Multiple Replica, Metadynamics-Based Sampling Methods and Force-Field Combinations
Lunna Li, Tommaso Casalini, Paolo Arosio, et al.
The Journal of Chemical Physics
|
March 12, 2026
Committor-regularized learning of differentiable collective variables from non-differentiable structural descriptors
Florian M Dietrich, Michael A Bellucci, Matteo Salvalaglio
Industrial & Engineering Chemistry Research
|
January 20, 2025
Solution Thermodynamics of l-Glutamic Acid Polymorphs from Finite-Sized Molecular Dynamics Simulations
Fabienne Bachtiger, Aliff Rahimee, Lunna Li, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
January 22, 2015
Kinetics of protein-ligand unbinding: Predicting pathways, rates, and rate-limiting steps
Pratyush Tiwary, Vittorio Limongelli, Matteo Salvalaglio, et al.
Journal of Chemical Theory and Computation
|
December 4, 2025
Sampling High-Dimensional Conformational Free Energy Landscapes of Active Pharmaceutical Ingredients
Alexandre Ferreira, Rui Guo, Ivan Marziano, et al.
The Journal of Chemical Physics
|
February 4, 2025
Unveiling the face-dependent ice growth kinetics: Insights from molecular dynamics on the basal and prism surfaces
Jihong Shi, Maxwell Fulford, Matteo Salvalaglio, et al.
Journal of the American Chemical Society
|
June 16, 2022
Understanding Metal-Organic Framework Nucleation from a Solution with Evolving Graphs
Loukas Kollias, Roger Rousseau, Vassiliki-Alexandra Glezakou, et al.
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of 8