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Paraskevi Gkeka

10PUBLICATIONS

31CO-AUTHORS

Automated software engineeringPlanning and decision makingBiomolecular modelling and designEvolutionary computationBiologically active molecules

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Publications (10)

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|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

|Apr 18, 2022

Correction to "Phase Diagram of a Stratum Corneum Lipid Mixture".

Maren Podewitz, Yin Wang, Paraskevi Gkeka

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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

1 joint publications

H Ménager

1 joint publications

Amir Barati Farimani

1 joint publications

Michele Ceriotti

1 joint publications

John D Chodera

1 joint publications

Aaron R Dinner

1 joint publications

Andrew L Ferguson

Frequent Collaborators

3 joint publications

Marc Bianciotto

2 joint publications

M Bonomi

1 joint publications

F P Panei

1 joint publications

R Torchet

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