E-LIB Suche - Ergebnisse für: Bret, Guillaume

1

Benchmarking AlphaFold-Generated Structures of Chemokine–Ch..:

Urvas, Lauri ; Chiesa, Luca ; Bret, Guillaume..
Journal of Chemical Information and Modeling. 64 (2024) 11 - p. 4587-4600 , 2024

Link: https://doi.org/10.1021/..

2

Subpocket Similarity-Based Hit Identification for Challengi..:

Eguida, Merveille ; Bret, Guillaume ; Sindt, François...
Journal of Chemical Information and Modeling. 64 (2024) 13 - p. 5344-5355 , 2024

Link: https://doi.org/10.1021/..

3

THE IMS LIBRARY: FROM IN‐STOCK TO VIRTUAL:

Kellenberger, Esther ; Djikic-Stojsic, Teodora ; Bret, Guillaume...
ChemMedChem. , 2024

Link: https://doi.org/10.1002/..

4

Comprehensive analysis of commercial fragment libraries:

Revillo Imbernon, Julia ; Jacquemard, Célien ; Bret, Guillaume..
RSC Medicinal Chemistry. 13 (2022) 3 - p. 300-310 , 2022

Link: https://doi.org/10.1039/..

5

High-Throughput Screening for Extracellular Inhibitors of t..:

Hany, Romain ; Leyris, Jean-Philippe ; Bret, Guillaume...
ACS Chemical Biology. 17 (2022) 3 - p. 709-722 , 2022

Link: https://doi.org/10.1021/..

6

A meteorological dataset of the West African monsoon during..:

Kohler, Martin ; Bessardon, Geoffrey ; Brooks, Barbara...
Scientific Data. 9 (2022) 1 - p. , 2022

Link: https://doi.org/10.1038/..

7

True Accuracy of Fast Scoring Functions to Predict High-Thr..:

Tran-Nguyen, Viet-Khoa ; Bret, Guillaume ; Rognan, Didier
Journal of Chemical Information and Modeling. 61 (2021) 6 - p. 2788-2797 , 2021

Link: https://doi.org/10.1021/..

8

Exhaustive Repertoire of Druggable Cavities at Protein–Prot..:

Da Silva, Franck ; Bret, Guillaume ; Teixeira, Leandro..
Journal of Medicinal Chemistry. 62 (2019) 21 - p. 9732-9742 , 2019

Link: https://doi.org/10.1021/..

9

Development and Scale-Up of a Manufacturing Route for the N..:

Bellingham, Richard ; Borrett, Gary ; Bret, Guillaume...
Organic Process Research & Development. 22 (2018) 2 - p. 200-206 , 2018

Link: https://doi.org/10.1021/..

10

All in One: Cavity Detection, Druggability Estimate, Cavity..:

Tran-Nguyen, Viet-Khoa ; Da Silva, Franck ; Bret, Guillaume.
Journal of Chemical Information and Modeling. 59 (2018) 1 - p. 573-585 , 2018

Link: https://doi.org/10.1021/..

11

Structural Insights on Fragment Binding Mode Conservation:

Drwal, Malgorzata N. ; Bret, Guillaume ; Perez, Carlos...
Journal of Medicinal Chemistry. 61 (2018) 14 - p. 5963-5973 , 2018

Link: https://doi.org/10.1021/..

12

Ranking docking poses by graph matching of protein–ligand i..:

da Silva Figueiredo Celestino Gomes, Priscila ; Da Silva, Franck ; Bret, Guillaume.
Journal of Computer-Aided Molecular Design. 32 (2017) 1 - p. 75-87 , 2017

Link: https://doi.org/10.1007/..

13

Multi-target Fragments Display Versatile Binding Modes:

Drwal, Malgorzata N. ; Bret, Guillaume ; Kellenberger, Esther
Molecular Informatics. 36 (2017) 10 - p. 1700042 , 2017

Link: https://doi.org/10.1002/..

14

Docking pose selection by interaction pattern graph similar..:

Slynko, Inna ; Da Silva, Franck ; Bret, Guillaume.
Journal of Computer-Aided Molecular Design. 30 (2016) 9 - p. 669-683 , 2016

Link: https://doi.org/10.1007/..

15

IChemPIC: A Random Forest Classifier of Biological and Crys..:

Da Silva, Franck ; Desaphy, Jérémy ; Bret, Guillaume.
Journal of Chemical Information and Modeling. 55 (2015) 9 - p. 2005-2014 , 2015

Link: https://doi.org/10.1021/..