Search

6 results in Authors: Jérôme Eberhardt

CosolvKit: a versatile tool for cosolvent MD preparation and analysis

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

Version 1 posted 06 May 2024

481

Downloads

Biological and Medicinal Chemistry

Working Paper

CIAA: Integrated Proteomics and Structural Modeling for Understanding Cysteine Reactivity with Iodoacetamide Alkyne

Lisa Boatner, Jerome Eberhardt, Flowreen Shikwana, Matthew Holcomb, Peiyuan Lee, Kendall Houk, Stefano Forli, Keriann Backus

Version 1 posted 17 January 2025

405

Downloads

Theoretical and Computational Chemistry

Working Paper

Combining Bayesian optimization with sequence- or structure-based strategies for optimization of protein-peptide binding

Jérôme Eberhardt, Aidan Lees, Markus Lill, Torsten Schwede

Version 2 posted 17 April 2024

664

Downloads

Theoretical and Computational Chemistry

Working Paper

Comparison of Ligand Affinity Ranking Using AutoDock-GPU and MM-GBSA Scores in the D3R Grand Challenge 4

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

Version 1 posted 24 June 2019

1,527

Downloads

Theoretical and Computational Chemistry

Working Paper

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

Jerome Eberhardt, Diogo Santos-Martins, Andreas Tillack, Stefano Forli

Version 1 posted 14 June 2021

9,525

Downloads

Citations

Theoretical and Computational Chemistry

Working Paper

WaterKit: thermodynamic profiling of protein hydration sites

Jerome Eberhardt, Stefano Forli

Version 1 posted 01 November 2022

702

Downloads

Search

Refine Search

6 results in Jérôme Eberhardt in Authors: Jérôme Eberhardt

CosolvKit: a versatile tool for cosolvent MD preparation and analysis

CIAA: Integrated Proteomics and Structural Modeling for Understanding Cysteine Reactivity with Iodoacetamide Alkyne

Combining Bayesian optimization with sequence- or structure-based strategies for optimization of protein-peptide binding

Comparison of Ligand Affinity Ranking Using AutoDock-GPU and MM-GBSA Scores in the D3R Grand Challenge 4

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

WaterKit: thermodynamic profiling of protein hydration sites

6 results in Authors: Jérôme Eberhardt