Paraskevi Gkeka (P Gkeka)

ORCID

Publication Activity (10 Years)

Years Active: 2020-2024
Publications (10 Years): 10

Top Venues

Nature communications

Journal of chemical theory and computation

The journal of physical chemistry. B

The Journal of chemical physics

Sanofi-Aventis France SA

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Sanofi-Aventis France SA Feb 01 2016

France

Molecular Modeler :: Integrated Drug Discovery

Publications

F P Panei, Paraskevi Gkeka, Massimiliano Bonomi
Identifying small-molecules binding sites in RNA conformational ensembles with SHAMAN. Nature communications 15 (1) (2024)
F P Panei, Paraskevi Gkeka, Massimiliano Bonomi
Identifying small-molecules binding sites in RNA conformational ensembles with SHAMAN. Nature communications 15 (1) (2024)
F P Panei, Paraskevi Gkeka, Massimiliano Bonomi
Identifying small-molecules binding sites in RNA conformational ensembles with SHAMAN. Nature communications 15 (1) (2024)
Zineb Belkacemi, Marc Bianciotto, Hervé Minoux, Tony Lelièvre, Gabriel Stoltz, Paraskevi Gkeka
Autoencoders for dimensionality reduction in molecular dynamics: Collective variable dimension, biasing, and transition states. The Journal of chemical physics 159 (2) (2023)
F P Panei, Rachel Torchet, Hervé Ménager, Paraskevi Gkeka, Massimiliano Bonomi
HARIBOSS: a curated database of RNA-small molecules structures to aid rational drug design. Bioinformatics (Oxford, England) 38 (17) (2022)
Maren Podewitz, Yin Wang, Paraskevi Gkeka, Susanne von Grafenstein, Klaus Roman Liedl, Zoe Cournia
Correction to "Phase Diagram of a Stratum Corneum Lipid Mixture". The journal of physical chemistry. B 126 (16) (2022)
Marc Bianciotto, Paraskevi Gkeka, Daria B Kokh, Rebecca C Wade, Hervé Minoux
Contact Map Fingerprints of Protein-Ligand Unbinding Trajectories Reveal Mechanisms Determining Residence Times Computed from Scaled Molecular Dynamics. Journal of chemical theory and computation 17 (10) (2021)
Zineb Belkacemi, Paraskevi Gkeka, Tony Lelièvre, Gabriel Stoltz
Chasing Collective Variables Using Autoencoders and Biased Trajectories. Journal of chemical theory and computation 18 (1) (2021)
Dan Sindhikara, Michael Wagner, Paraskevi Gkeka, Stefan Güssregen, Garima Tiwari, Gerhard Hessler, Engin Yapici, Ziyu Li, Andreas Evers
Automated Design of Macrocycles for Therapeutic Applications: From Small Molecules to Peptides and Proteins. Journal of medicinal chemistry 63 (20) (2020)
Paraskevi Gkeka, Gabriel Stoltz, Amir Barati Farimani, Zineb Belkacemi, Michele Ceriotti, John D Chodera, Aaron R Dinner, Andrew L Ferguson, Jean-Bernard Maillet, Hervé Minoux, Christine Peter, Fabio Pietrucci, Ana Silveira, Alexandre Tkatchenko, Zofia Trstanova, Rafal Wiewiora, Tony Lelièvre
Machine Learning Force Fields and Coarse-Grained Variables in Molecular Dynamics: Application to Materials and Biological Systems. Journal of chemical theory and computation 16 (8) (2020)

Paraskevi Gkeka.css-eqlu8i{font-size:small;padding-left:4px;} (P Gkeka)

Publication Activity (10 Years)

Top Topics

Top Venues

Paraskevi Gkeka (P Gkeka)