Paraskevi Gkeka

11PUBLICATIONS
37CO-AUTHORS
Biomolecular modelling and designAutomated software engineeringPlanning and decision makingEvolutionary computationBiologically active molecules
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Publications (11)

|Aug 20, 2026
Bicyclo[1.1.1]pentane as a Phenyl Isosteric Replacement.

|May 20, 2025
Computational Hit Finding: An Industry Perspective.

Paraskevi Gkeka, Fredrik Svensson, Carlos Roca Magadán

|Mar 11, 2025
Harnessing Medicinal Chemical Intuition from Collective Intelligence.

Pierre Llompart, Kwame Amaning, Marc Bianciotto

|Jul 08, 2024
Identifying small-molecules binding sites in RNA conformational ensembles with SHAMAN.

F P Panei, P Gkeka, M Bonomi

|Jul 11, 2023
Autoencoders for dimensionality reduction in molecular dynamics: Collective variable dimension, biasing, and transition states.

Zineb Belkacemi, Marc Bianciotto, Hervé Minoux

|Jul 08, 2022
HARIBOSS: a curated database of RNA-small molecules structures to aid rational drug design.

F P Panei, R Torchet, H Ménager

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Frequent Collaborators

3 joint publications

Marc Bianciotto

2 joint publications

M Bonomi

1 joint publications

F P Panei

1 joint publications

R Torchet