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Molecules (Basel, Switzerland)
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November 13, 2021
Charge-Flow Profiles along Curvilinear Paths: A Flexible Scheme for the Analysis of Charge Displacement upon Intermolecular Interactions
Luca Sagresti, Sergio Rampino
Physical Chemistry Chemical Physics : PCCP
|
November 3, 2021
Photoinduced azobenzene-modified DNA dehybridization: insights into local and cooperativity effects from a molecular dynamics study
Nuno Barbosa, Luca Sagresti, Giuseppe Brancato
Journal of Chemical Theory and Computation
|
April 26, 2022
Stochastic Model of Solvent Exchange in the First Coordination Shell of Aqua Ions
Luca Sagresti, Lorenzo Peri, Giacomo Ceccarelli, et al.
Journal of Chemical Theory and Computation
|
September 11, 2025
Simulating Metal Complex Formation and Ligand Exchange: Unraveling the Interplay between Entropy, Kinetics, and Mechanisms on the Chelate Effect
Luca Sagresti, Luca Benedetti, Kenneth M Merz, et al.
Journal of Chemical Theory and Computation
|
April 3, 2025
Ion-Induced Dipole Interactions Matter in Metadynamics Simulation of Transition Metal Ion Transporters
Majid Jafari, Luca Sagresti, Jian Hu, et al.
The Journal of Membrane Biology
|
July 24, 2019
Temperature Dependence of the Structure and Dynamics of a Dye-Labeled Lipid in a Planar Phospholipid Bilayer: A Computational Study
Muhammad Jan Akhunzada, Luca Sagresti, Andrea Catte, et al.
The Journal of Physical Chemistry. B
|
January 16, 2024
Thermodynamics of Metal-Acetate Interactions
Majid Jafari, Zhen Li, Lin Frank Song, et al.
Angewandte Chemie (International Ed. in English)
|
April 8, 2025
Unprecedented "off-pathway" [2+2] Cycloaddition-Retroelectrocyclization Reaction Between an Unsymmetric Alkyne and Tetracyanoquinodimethane
Oscar Fernández-Vera, Luca Sagresti, Luis M Mateo, et al.
Biorxiv : the Preprint Server for Biology
|
September 30, 2024
Molecular insights into substrate translocation in an elevator-type metal transporter
Yao Zhang, Majid Jafari, Tuo Zhang, et al.
Nature Communications
|
November 8, 2024
Molecular insights into substrate translocation in an elevator-type metal transporter
Yao Zhang, Majid Jafari, Tuo Zhang, et al.
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Search research articles
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Showing results (1-10 of 14) with videos related to
Sort By:
Page
of 2
Molecules (Basel, Switzerland)
|
November 13, 2021
Charge-Flow Profiles along Curvilinear Paths: A Flexible Scheme for the Analysis of Charge Displacement upon Intermolecular Interactions
Luca Sagresti, Sergio Rampino
Physical Chemistry Chemical Physics : PCCP
|
November 3, 2021
Photoinduced azobenzene-modified DNA dehybridization: insights into local and cooperativity effects from a molecular dynamics study
Nuno Barbosa, Luca Sagresti, Giuseppe Brancato
Journal of Chemical Theory and Computation
|
April 26, 2022
Stochastic Model of Solvent Exchange in the First Coordination Shell of Aqua Ions
Luca Sagresti, Lorenzo Peri, Giacomo Ceccarelli, et al.
Journal of Chemical Theory and Computation
|
September 11, 2025
Simulating Metal Complex Formation and Ligand Exchange: Unraveling the Interplay between Entropy, Kinetics, and Mechanisms on the Chelate Effect
Luca Sagresti, Luca Benedetti, Kenneth M Merz, et al.
Journal of Chemical Theory and Computation
|
April 3, 2025
Ion-Induced Dipole Interactions Matter in Metadynamics Simulation of Transition Metal Ion Transporters
Majid Jafari, Luca Sagresti, Jian Hu, et al.
The Journal of Membrane Biology
|
July 24, 2019
Temperature Dependence of the Structure and Dynamics of a Dye-Labeled Lipid in a Planar Phospholipid Bilayer: A Computational Study
Muhammad Jan Akhunzada, Luca Sagresti, Andrea Catte, et al.
The Journal of Physical Chemistry. B
|
January 16, 2024
Thermodynamics of Metal-Acetate Interactions
Majid Jafari, Zhen Li, Lin Frank Song, et al.
Angewandte Chemie (International Ed. in English)
|
April 8, 2025
Unprecedented "off-pathway" [2+2] Cycloaddition-Retroelectrocyclization Reaction Between an Unsymmetric Alkyne and Tetracyanoquinodimethane
Oscar Fernández-Vera, Luca Sagresti, Luis M Mateo, et al.
Biorxiv : the Preprint Server for Biology
|
September 30, 2024
Molecular insights into substrate translocation in an elevator-type metal transporter
Yao Zhang, Majid Jafari, Tuo Zhang, et al.
Nature Communications
|
November 8, 2024
Molecular insights into substrate translocation in an elevator-type metal transporter
Yao Zhang, Majid Jafari, Tuo Zhang, et al.
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of 2