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Florence Szczepaniak

Showing results (1-10 of 8) with videos related to

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The Journal of Chemical Physics|November 18, 2024
Hybrid neMD/MC lipid swapping algorithm to equilibrate membrane simulation with thermodynamic reservoirFlorence Szczepaniak, François Dehez, Benoît Roux
The Journal of Physical Chemistry Letters|April 1, 2024
Configurational Sampling of All-Atom Solvated Membranes Using Hybrid Nonequilibrium Molecular Dynamics Monte Carlo SimulationsFlorence Szczepaniak, François Dehez, Benoît Roux
Journal of Chemical Information and Modeling|March 9, 2026
CHARMM-GUI Hybrid ML/MM Builder for Hybrid Machine Learning and Molecular Mechanical Modeling and SimulationsFlorence Szczepaniak, Donghyuk Suh, Wonpil Im
Physical Review. E|May 20, 2020
Inertial capillary uptake of dropsGeoff R Willmott, Alice Briole, Florence Szczepaniak
The Journal of Physical Chemistry. B|December 3, 2020
Molecular Dynamics Approach for Capturing Calixarene-Protein Interactions: The Case of Cytochrome CAlessio Bartocci, Natacha Gillet, Tao Jiang, et al.
The Journal of Physical Chemistry. B|July 5, 2022
Computational Assessment of Protein-Protein Binding Specificity within a Family of Synaptic Surface ReceptorsPrithviraj Nandigrami, Florence Szczepaniak, Christopher T Boughter, et al.
Physical Chemistry Chemical Physics : PCCP|May 19, 2021
Capturing the dynamic association between a tris-dipicolinate lanthanide complex and a decapeptide: a combined paramagnetic NMR and molecular dynamics explorationSandrine Denis-Quanquin, Alessio Bartocci, Florence Szczepaniak, et al.
Nature Protocols|March 12, 2022
Accurate determination of protein:ligand standard binding free energies from molecular dynamics simulationsHaohao Fu, Haochuan Chen, Marharyta Blazhynska, et al.
Pageof 1

Showing results (1-10 of 8) with videos related to

Sort By:
Pageof 1
The Journal of Chemical Physics|November 18, 2024
Hybrid neMD/MC lipid swapping algorithm to equilibrate membrane simulation with thermodynamic reservoirFlorence Szczepaniak, François Dehez, Benoît Roux
The Journal of Physical Chemistry Letters|April 1, 2024
Configurational Sampling of All-Atom Solvated Membranes Using Hybrid Nonequilibrium Molecular Dynamics Monte Carlo SimulationsFlorence Szczepaniak, François Dehez, Benoît Roux
Journal of Chemical Information and Modeling|March 9, 2026
CHARMM-GUI Hybrid ML/MM Builder for Hybrid Machine Learning and Molecular Mechanical Modeling and SimulationsFlorence Szczepaniak, Donghyuk Suh, Wonpil Im
Physical Review. E|May 20, 2020
Inertial capillary uptake of dropsGeoff R Willmott, Alice Briole, Florence Szczepaniak
The Journal of Physical Chemistry. B|December 3, 2020
Molecular Dynamics Approach for Capturing Calixarene-Protein Interactions: The Case of Cytochrome CAlessio Bartocci, Natacha Gillet, Tao Jiang, et al.
The Journal of Physical Chemistry. B|July 5, 2022
Computational Assessment of Protein-Protein Binding Specificity within a Family of Synaptic Surface ReceptorsPrithviraj Nandigrami, Florence Szczepaniak, Christopher T Boughter, et al.
Physical Chemistry Chemical Physics : PCCP|May 19, 2021
Capturing the dynamic association between a tris-dipicolinate lanthanide complex and a decapeptide: a combined paramagnetic NMR and molecular dynamics explorationSandrine Denis-Quanquin, Alessio Bartocci, Florence Szczepaniak, et al.
Nature Protocols|March 12, 2022
Accurate determination of protein:ligand standard binding free energies from molecular dynamics simulationsHaohao Fu, Haochuan Chen, Marharyta Blazhynska, et al.
Pageof 1