I agree that this site is using cookies. You can find further informations here.
X
Eberhardt, Jerome
46  results:
Search for persons X
?
1

Automated benchmarking of combined protein structure and li..:

Leemann, Michèle ; Sagasta, Ander ; Eberhardt, Jerome...
Proteins: Structure, Function, and Bioinformatics.  91 (2023)  12 - p. 1912-1924 , 2023
Link: https://doi.org/10.1002/..
 
?
2

WaterKit: Thermodynamic Profiling of Protein Hydration Site:

Eberhardt, Jerome ; Forli, Stefano
Journal of Chemical Theory and Computation.  19 (2023)  9 - p. 2535-2556 , 2023
Link: https://doi.org/10.1021/..
 
?
3

New prediction categories in CASP15:

Kryshtafovych, Andriy ; Antczak, Maciej ; Szachniuk, Marta...
Proteins: Structure, Function, and Bioinformatics.  91 (2023)  12 - p. 1550-1557 , 2023
Link: https://doi.org/10.1002/..
 
?
4

Assessment of protein–ligand complexes in CASP15:

Robin, Xavier ; Studer, Gabriel ; Durairaj, Janani...
Proteins: Structure, Function, and Bioinformatics.  91 (2023)  12 - p. 1811-1821 , 2023
Link: https://doi.org/10.1002/..
 
?
5

AutoDock Vina 1.2.0: New Docking Methods, Expanded Force Fi..:

Eberhardt, Jerome ; Santos-Martins, Diogo ; Tillack, Andreas F..
Journal of Chemical Information and Modeling.  61 (2021)  8 - p. 3891-3898 , 2021
Link: https://doi.org/10.1021/..
 
?
6

Parallelizing Irregular Computations for Molecular Docking:

, In: 2020 IEEE/ACM 10th Workshop on Irregular Applications: Architectures and Algorithms (IA3),
Solis-Vasquez, Leonardo ; Santos-Martins, Diogo ; Tillack, Andreas F.... - p. 12-21 , 2020
Link: https://doi.org/10.1109/..
 
?
7

Integrative X-ray Structure and Molecular Modeling for the ..:

Xu, Janice H. ; Eberhardt, Jerome ; Hill-Payne, Brianna...
ACS Chemical Biology.  15 (2020)  2 - p. 575-586 , 2020
Link: https://doi.org/10.1021/..
 
?
8

D3R Grand Challenge 4: prospective pose prediction of BACE1..:

Santos-Martins, Diogo ; Eberhardt, Jerome ; Bianco, Giulia...
Journal of Computer-Aided Molecular Design.  33 (2019)  12 - p. 1071-1081 , 2019
Link: https://doi.org/10.1007/..
 
?
9

A revisited version of the apo structure of the ligand-bind..:

Eberhardt, Jérôme ; McEwen, Alastair G. ; Bourguet, William..
Acta Crystallographica Section F Structural Biology Communications.  75 (2019)  2 - p. 98-104 , 2019
Link: https://doi.org/10.1107/..
 
?
10

Comparison of affinity ranking using AutoDock-GPU and MM-GB..:

El Khoury, Léa ; Santos-Martins, Diogo ; Sasmal, Sukanya...
Journal of Computer-Aided Molecular Design.  33 (2019)  12 - p. 1011-1020 , 2019
Link: https://doi.org/10.1007/..
 
?
11

Allostery in Its Many Disguises: From Theory to Application:

Wodak, Shoshana J. ; Paci, Emanuele ; Dokholyan, Nikolay V....
Structure.  27 (2019)  4 - p. 566-578 , 2019
Link: https://doi.org/10.1016/..
 
?
12

Structural Basis of Altered Potency and Efficacy Displayed ..:

Mosure, Sarah A. ; Shang, Jinsai ; Eberhardt, Jerome...
Journal of Medicinal Chemistry.  62 (2019)  4 - p. 2008-2023 , 2019
Link: https://doi.org/10.1021/..
 
?
13

Humanized GPIbα–von Willebrand factor interaction in the mo..:

Kanaji, Sachiko ; Orje, Jennifer N. ; Kanaji, Taisuke...
Blood Advances.  2 (2018)  19 - p. 2522-2532 , 2018
Link: https://doi.org/10.1182/..
 
?
14

Unrolr: Structural analysis of protein conformations using ..:

Eberhardt, Jérôme ; Stote, Roland H. ; Dejaegere, Annick
Journal of Computational Chemistry.  39 (2018)  30 - p. 2551-2557 , 2018
Link: https://doi.org/10.1002/..
 
?
15

Structural Insights into the Molecular Mechanism of Vitamin..:

Belorusova, Anna Y. ; Eberhardt, Jérôme ; Potier, Noëlle...
Journal of Medicinal Chemistry.  57 (2014)  11 - p. 4710-4719 , 2014
Link: https://doi.org/10.1021/..
 
1-15