Jérôme Eberhardt

According to our database, Jérôme Eberhardt authored at least 7 papers between 2018 and 2025.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2025

Meeko: Molecule Parametrization and Software Interoperability for Docking and Beyond.

Diogo Santos-Martins, Yiran He, Jérôme Eberhardt, Parnika Sharma, Niccolò Bruciaferri, Matthew Holcomb, Manuel A. Llanos, Althea T. Hansel-Harris, Allison Pearl Barkdull, Andreas F. Tillack, Giulia Bianco, May-Linn Paulsen, Joani Mato, Ishan Taneja, Stefano Forli

J. Chem. Inf. Model., 2025

2024

CosolvKit: a Versatile Tool for Cosolvent MD Preparation and Analysis.

Niccolò Bruciaferri, Jérôme Eberhardt, Manuel A. Llanos, Johannes R. Loeffler, Matthew Holcomb, Monica L. Fernández-Quintero, Diogo Santos-Martins, Andrew B. Ward, Stefano Forli

J. Chem. Inf. Model., 2024

2021

AutoDock Vina 1.2.0: New Docking Methods, Expanded Force Field, and Python Bindings.

Jérôme Eberhardt, Diogo Santos-Martins, Andreas F. Tillack, Stefano Forli

J. Chem. Inf. Model., 2021

2020

Parallelizing Irregular Computations for Molecular Docking.

Leonardo Solis-Vasquez, Diogo Santos-Martins, Andreas F. Tillack, Andreas Koch, Jérôme Eberhardt, Stefano Forli

Proceedings of the 10th IEEE/ACM Workshop on Irregular Applications: Architectures and Algorithms, 2020

2019

D3R Grand Challenge 4: prospective pose prediction of BACE1 ligands with AutoDock-GPU.

Diogo Santos-Martins, Jérôme Eberhardt, Giulia Bianco, Leonardo Solis-Vasquez, Francesca Alessandra Ambrosio, Andreas Koch, Stefano Forli

J. Comput. Aided Mol. Des., 2019

Comparison of affinity ranking using AutoDock-GPU and MM-GBSA scores for BACE-1 inhibitors in the D3R Grand Challenge 4.

Lea El-Khoury, Diogo Santos-Martins, Sukanya Sasmal, Jérôme Eberhardt, Giulia Bianco, Francesca Alessandra Ambrosio, Leonardo Solis-Vasquez, Andreas Koch, Stefano Forli, David L. Mobley

J. Comput. Aided Mol. Des., 2019

2018

Unrolr: Structural analysis of protein conformations using stochastic proximity embedding.

Jérôme Eberhardt, Roland H. Stote, Annick Dejaegere

J. Comput. Chem., 2018