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List of works by Paraskevi Gkeka

Allostery in Its Many Disguises: From Theory to Applications

scientific article published on 07 February 2019

Automated Design of Macrocycles for Therapeutic Applications: From Small Molecules to Peptides and Proteins

scientific article published on 05 October 2020

Chasing Collective Variables Using Autoencoders and Biased Trajectories

scientific article published on 29 December 2021

Contact Map Fingerprints of Protein–Ligand Unbinding Trajectories Reveal Mechanisms Determining Residence Times Computed from Scaled Molecular Dynamics

scientific article published on 08 September 2021

Free Energy Calculations Reveal the Origin of Binding Preference for Aminoadamantane Blockers of Influenza A/M2TM Pore

scientific article published on 3 January 2013

Homogeneous Hydrophobic-Hydrophilic Surface Patterns Enhance Permeation of Nanoparticles through Lipid Membranes.

scientific article published on 22 May 2013

Interactions of phospholipid bilayers with several classes of amphiphilic alpha-helical peptides: insights from coarse-grained molecular dynamics simulations

scientific article published on 01 January 2010

Membrane Protein Structure, Function, and Dynamics: a Perspective from Experiments and Theory.

scientific article

Spontaneous formation of a barrel-stave pore in a coarse-grained model of the synthetic LS3 peptide and a DPPC lipid bilayer

scientific article published on 01 January 2009

Structure and Phase Transformations of DPPC Lipid Bilayers in the Presence of Nanoparticles: Insights from Coarse-Grained Molecular Dynamics Simulations ⬇️

scientific article published on March 10, 2011

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