Jérôme Eberhardt

Scripps Research Institute — United States

Biochemistry, Genetics and Molecular Biology · Life Sciences

16h-index6.9kcitations39works8.02yr avg
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Research Topics

Protein Structure and Dynamics(20), Computational Drug Discovery Methods(18), Machine Learning in Materials Science(6), Enzyme Structure and Function(5), Mass Spectrometry Techniques and Applications(3)

Publications39 total

Meeko: Molecule Parametrization and Software Interoperability for Docking and Beyond
Journal of Chemical Information and Modeling·2025· 1 cited
Assessment of Pharmaceutical Protein–Ligand Pose and Affinity Predictions in <scp>CASP16</scp>
Proteins Structure Function and Bioinformatics·2025· 2 citedOpen Access
Meeko: molecule parameterization and software interoperability for docking and beyond
2025· 2 citedOpen Access
CIAA: Integrated Proteomics and Structural Modeling for Understanding Cysteine Reactivity with Iodoacetamide Alkyne
ACS Chemical Biology·2025· 3 citedOpen Access
Assessment of Pharmaceutical Protein-Ligand Pose and Affinity Predictions in CASP16
2025· 7 citedOpen Access
Have protein-ligand cofolding methods moved beyond memorisation?
2025· 55 citedOpen Access
CIAA: Integrated Proteomics and Structural Modeling for Understanding Cysteine Reactivity with Iodoacetamide Alkyne
2025· 1 citedOpen Access
CosolvKit: a Versatile Tool for Cosolvent MD Preparation and Analysis
Journal of Chemical Information and Modeling·2024· 1 citedOpen Access
Combining Bayesian optimization with sequence- or structure-based strategies for optimization of protein-peptide binding
2024Open Access
Automated benchmarking of combined protein structure and ligand conformation prediction
Proteins Structure Function and Bioinformatics·2023· 21 citedOpen Access
Assessment of protein–ligand complexes in <scp>CASP15</scp>
Proteins Structure Function and Bioinformatics·2023· 43 citedOpen Access
Automated benchmarking of combined protein structure and ligand conformation prediction
Zenodo (CERN European Organization for Nuclear Research)·2023Open Access
Automated benchmarking of combined protein structure and ligand conformation prediction
2023Open Access
Author response for "Automated benchmarking of combined protein structure and ligand conformation prediction"
2023
New prediction categories in <scp>CASP15</scp>
Proteins Structure Function and Bioinformatics·2023· 60 citedOpen Access
Combining Bayesian optimization with sequence- or structure-based strategies for optimization of peptide-binding protein
2023Open Access
Automated benchmarking of combined protein structure and ligand conformation prediction
2023· 1 citedOpen Access
New prediction categories in CASP15
2023· 4 citedOpen Access
WaterKit: Thermodynamic Profiling of Protein Hydration Sites
Journal of Chemical Theory and Computation·2023· 7 citedOpen Access
WaterKit: thermodynamic profiling of protein hydration sites
2022· 1 citedOpen Access
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Frequent Co-authors

Stefano Forli(20), Diogo Santos‐Martins(11), Janani Durairaj(11), Torsten Schwede(11), Xavier Robin(10), Andreas F. Tillack(6), Giulia Bianco(6), Annick Dejaegere(5), Leonardo Solis-Vasquez(5), Andreas Koch(5), Michèle Leemann(5), Ander Sagasta(5), Matthew Holcomb(5), Francesca Alessandra Ambrosio(4), Andriy Kryshtafovych(4), Keriann M. Backus(4), Roland H. Stote(3), Léa El Khoury(3), Sukanya Sasmal(3), David L. Mobley(3)