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The Journal of Physical Chemistry. B
|
December 24, 2009
Interactions of phospholipid bilayers with several classes of amphiphilic alpha-helical peptides: insights from coarse-grained molecular dynamics simulations
Paraskevi Gkeka, Lev Sarkisov
The Journal of Physical Chemistry Letters
|
August 19, 2015
Homogeneous Hydrophobic-Hydrophilic Surface Patterns Enhance Permeation of Nanoparticles through Lipid Membranes
Paraskevi Gkeka, Lev Sarkisov, Panagiotis Angelikopoulos
Plos Computational Biology
|
December 5, 2014
Membrane partitioning of anionic, ligand-coated nanoparticles is accompanied by ligand snorkeling, local disordering, and cholesterol depletion
Paraskevi Gkeka, Panagiotis Angelikopoulos, Lev Sarkisov, et al.
Journal of Chemical Theory and Computation
|
December 29, 2021
Chasing Collective Variables Using Autoencoders and Biased Trajectories
Zineb Belkacemi, Paraskevi Gkeka, Tony Lelièvre, et al.
Journal of Chemical Theory and Computation
|
November 21, 2015
Free Energy Calculations Reveal the Origin of Binding Preference for Aminoadamantane Blockers of Influenza A/M2TM Pore
Paraskevi Gkeka, Stelios Eleftheratos, Antonios Kolocouris, et al.
The Journal of Physical Chemistry. B
|
October 10, 2014
Exploring a non-ATP pocket for potential allosteric modulation of PI3Kα
Paraskevi Gkeka, Alexandra Papafotika, Savvas Christoforidis, et al.
Nanoscale
|
October 15, 2016
Self-assembly of anionic, ligand-coated nanoparticles in lipid membranes
Panagiotis Angelikopoulos, Lev Sarkisov, Zoe Cournia, et al.
Journal of Chemical Theory and Computation
|
September 8, 2021
Contact Map Fingerprints of Protein-Ligand Unbinding Trajectories Reveal Mechanisms Determining Residence Times Computed from Scaled Molecular Dynamics
Marc Bianciotto, Paraskevi Gkeka, Daria B Kokh, et al.
The Journal of Chemical Physics
|
July 11, 2023
Autoencoders for dimensionality reduction in molecular dynamics: Collective variable dimension, biasing, and transition states
Zineb Belkacemi, Marc Bianciotto, Hervé Minoux, et al.
Biochimica Et Biophysica Acta
|
August 17, 2016
DPPC-cholesterol phase diagram using coarse-grained Molecular Dynamics simulations
Yin Wang, Paraskevi Gkeka, Julian E Fuchs, et al.
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Search research articles
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Showing results (1-10 of 23) with videos related to
Sort By:
Page
of 3
The Journal of Physical Chemistry. B
|
December 24, 2009
Interactions of phospholipid bilayers with several classes of amphiphilic alpha-helical peptides: insights from coarse-grained molecular dynamics simulations
Paraskevi Gkeka, Lev Sarkisov
The Journal of Physical Chemistry Letters
|
August 19, 2015
Homogeneous Hydrophobic-Hydrophilic Surface Patterns Enhance Permeation of Nanoparticles through Lipid Membranes
Paraskevi Gkeka, Lev Sarkisov, Panagiotis Angelikopoulos
Plos Computational Biology
|
December 5, 2014
Membrane partitioning of anionic, ligand-coated nanoparticles is accompanied by ligand snorkeling, local disordering, and cholesterol depletion
Paraskevi Gkeka, Panagiotis Angelikopoulos, Lev Sarkisov, et al.
Journal of Chemical Theory and Computation
|
December 29, 2021
Chasing Collective Variables Using Autoencoders and Biased Trajectories
Zineb Belkacemi, Paraskevi Gkeka, Tony Lelièvre, et al.
Journal of Chemical Theory and Computation
|
November 21, 2015
Free Energy Calculations Reveal the Origin of Binding Preference for Aminoadamantane Blockers of Influenza A/M2TM Pore
Paraskevi Gkeka, Stelios Eleftheratos, Antonios Kolocouris, et al.
The Journal of Physical Chemistry. B
|
October 10, 2014
Exploring a non-ATP pocket for potential allosteric modulation of PI3Kα
Paraskevi Gkeka, Alexandra Papafotika, Savvas Christoforidis, et al.
Nanoscale
|
October 15, 2016
Self-assembly of anionic, ligand-coated nanoparticles in lipid membranes
Panagiotis Angelikopoulos, Lev Sarkisov, Zoe Cournia, et al.
Journal of Chemical Theory and Computation
|
September 8, 2021
Contact Map Fingerprints of Protein-Ligand Unbinding Trajectories Reveal Mechanisms Determining Residence Times Computed from Scaled Molecular Dynamics
Marc Bianciotto, Paraskevi Gkeka, Daria B Kokh, et al.
The Journal of Chemical Physics
|
July 11, 2023
Autoencoders for dimensionality reduction in molecular dynamics: Collective variable dimension, biasing, and transition states
Zineb Belkacemi, Marc Bianciotto, Hervé Minoux, et al.
Biochimica Et Biophysica Acta
|
August 17, 2016
DPPC-cholesterol phase diagram using coarse-grained Molecular Dynamics simulations
Yin Wang, Paraskevi Gkeka, Julian E Fuchs, et al.
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of 3