Jérôme Eberhardt

Publication Activity (10 Years)

Years Active: 2018-2021
Publications (10 Years): 5

Top Topics

Grand Challenge

Irregularly Shaped

Gpu Implementation

Structural Analysis

Top Venues

J. Comput. Aided Mol. Des.

J. Comput. Chem.

J. Chem. Inf. Model.

Publications

Jérôme Eberhardt, Diogo Santos-Martins, Andreas F. Tillack, Stefano Forli
AutoDock Vina 1.2.0: New Docking Methods, Expanded Force Field, and Python Bindings. J. Chem. Inf. Model. 61 (8) (2021)
Leonardo Solis-Vasquez, Diogo Santos-Martins, Andreas F. Tillack, Andreas Koch, Jérôme Eberhardt, Stefano Forli
Parallelizing Irregular Computations for Molecular Docking. IA3@SC (2020)
Diogo Santos-Martins, Jérôme Eberhardt, Giulia Bianco, Leonardo Solis-Vasquez, Francesca Alessandra Ambrosio, Andreas Koch, Stefano Forli
D3R Grand Challenge 4: prospective pose prediction of BACE1 ligands with AutoDock-GPU. J. Comput. Aided Mol. Des. 33 (12) (2019)
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
Comparison of affinity ranking using AutoDock-GPU and MM-GBSA scores for BACE-1 inhibitors in the D3R Grand Challenge 4. J. Comput. Aided Mol. Des. 33 (12) (2019)
Jérôme Eberhardt, Roland H. Stote, Annick Dejaegere
Unrolr: Structural analysis of protein conformations using stochastic proximity embedding. J. Comput. Chem. 39 (30) (2018)