Author

Albert Ortega-Bartolome

Consejo Superior de Investigaciones CientíficasORCID 0009-0001-4213-132XUnclaimed ORCID profile · follow to get notified of new preprints

Biology Disciplines

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Biophysics· 1

Signature Assays, Organisms & Methods

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Approach:deep learning· 1 Research Focus:drug response / drug discovery· 1 Assay:proteomics· 1 Approach:statistical model· 1

Frequent Co-Authors

Ramón CrehuetiD· 1 shared

Activity by Year

2026-2026 · peak 1/yr

1 paper

Recent·Most cited

BiophysicsJournal of Chemical Information and ModelingPeer-reviewedMay 14, 2026

NEMAT: An Automated Non-Equilibrium Free-Energy Framework for Predicting Ligand Affinity in Membrane Proteins

Albert Ortega-Bartolome, Ramón Crehuet

NEMAT automates non-equilibrium free-energy calculations for membrane proteins, accurately predicting ligand affinity and decomposing binding energy into membrane and protein components.

DOI 10.1021/acs.jcim.5c03089

proteomicsdeep learning

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