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Journal of Chemical Theory and Computation
|
April 24, 2023
WaterKit: Thermodynamic Profiling of Protein Hydration Sites
Jerome Eberhardt, Stefano Forli
Journal of Chemical Information and Modeling
|
July 19, 2021
AutoDock Vina 1.2.0: New Docking Methods, Expanded Force Field, and Python Bindings
Jerome Eberhardt, Diogo Santos-Martins, Andreas F Tillack, et al.
Proteins
|
October 27, 2023
Automated benchmarking of combined protein structure and ligand conformation prediction
Michèle Leemann, Ander Sagasta, Jerome Eberhardt, et al.
Proteins
|
October 4, 2025
Assessment of Pharmaceutical Protein-Ligand Pose and Affinity Predictions in CASP16
Michael K Gilson, Jerome Eberhardt, Peter Škrinjar, et al.
Proteins
|
October 5, 2023
Assessment of protein-ligand complexes in CASP15
Xavier Robin, Gabriel Studer, Janani Durairaj, et al.
Journal of Computer-Aided Molecular Design
|
November 7, 2019
D3R Grand Challenge 4: prospective pose prediction of BACE1 ligands with AutoDock-GPU
Diogo Santos-Martins, Jerome Eberhardt, Giulia Bianco, et al.
Journal of Medicinal Chemistry
|
January 25, 2019
Structural Basis of Altered Potency and Efficacy Displayed by a Major in Vivo Metabolite of the Antidiabetic PPARγ Drug Pioglitazone
Sarah A Mosure, Jinsai Shang, Jerome Eberhardt, et al.
ACS Chemical Biology
|
June 30, 2025
CIAA: Integrated Proteomics and Structural Modeling for Understanding Cysteine Reactivity with Iodoacetamide Alkyne
Lisa M Boatner, Jerome Eberhardt, Flowreen Shikwana, et al.
Journal of Chemical Information and Modeling
|
October 22, 2024
CosolvKit: a Versatile Tool for Cosolvent MD Preparation and Analysis
Niccolo' Bruciaferri, Jerome Eberhardt, Manuel A Llanos, et al.
ACS Chemical Biology
|
January 14, 2020
Integrative X-ray Structure and Molecular Modeling for the Rationalization of Procaspase-8 Inhibitor Potency and Selectivity
Janice H Xu, Jerome Eberhardt, Brianna Hill-Payne, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 15) with videos related to
Sort By:
Page
of 2
Journal of Chemical Theory and Computation
|
April 24, 2023
WaterKit: Thermodynamic Profiling of Protein Hydration Sites
Jerome Eberhardt, Stefano Forli
Journal of Chemical Information and Modeling
|
July 19, 2021
AutoDock Vina 1.2.0: New Docking Methods, Expanded Force Field, and Python Bindings
Jerome Eberhardt, Diogo Santos-Martins, Andreas F Tillack, et al.
Proteins
|
October 27, 2023
Automated benchmarking of combined protein structure and ligand conformation prediction
Michèle Leemann, Ander Sagasta, Jerome Eberhardt, et al.
Proteins
|
October 4, 2025
Assessment of Pharmaceutical Protein-Ligand Pose and Affinity Predictions in CASP16
Michael K Gilson, Jerome Eberhardt, Peter Škrinjar, et al.
Proteins
|
October 5, 2023
Assessment of protein-ligand complexes in CASP15
Xavier Robin, Gabriel Studer, Janani Durairaj, et al.
Journal of Computer-Aided Molecular Design
|
November 7, 2019
D3R Grand Challenge 4: prospective pose prediction of BACE1 ligands with AutoDock-GPU
Diogo Santos-Martins, Jerome Eberhardt, Giulia Bianco, et al.
Journal of Medicinal Chemistry
|
January 25, 2019
Structural Basis of Altered Potency and Efficacy Displayed by a Major in Vivo Metabolite of the Antidiabetic PPARγ Drug Pioglitazone
Sarah A Mosure, Jinsai Shang, Jerome Eberhardt, et al.
ACS Chemical Biology
|
June 30, 2025
CIAA: Integrated Proteomics and Structural Modeling for Understanding Cysteine Reactivity with Iodoacetamide Alkyne
Lisa M Boatner, Jerome Eberhardt, Flowreen Shikwana, et al.
Journal of Chemical Information and Modeling
|
October 22, 2024
CosolvKit: a Versatile Tool for Cosolvent MD Preparation and Analysis
Niccolo' Bruciaferri, Jerome Eberhardt, Manuel A Llanos, et al.
ACS Chemical Biology
|
January 14, 2020
Integrative X-ray Structure and Molecular Modeling for the Rationalization of Procaspase-8 Inhibitor Potency and Selectivity
Janice H Xu, Jerome Eberhardt, Brianna Hill-Payne, et al.
Page
of 2