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Rognan, Didier
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1

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/..
 
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2

Protein Structure-Based Organic Chemistry-Driven Ligand Des..:

Sindt, François ; Seyller, Anthony ; Eguida, Merveille.
ACS Central Science.  10 (2024)  3 - p. 615-627 , 2024
Link: https://doi.org/10.1021/..
 
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3

Kaempferol activates the mitochondrial calcium uniporter co..:

Lamonzie, Elodie ; Panel, Mathieu ; Fossier, Lucile...
Biophysical Journal.  123 (2024)  3 - p. 535a , 2024
Link: https://doi.org/10.1016/..
 
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4

Estimating the Similarity between Protein Pockets:

Eguida, Merveille ; Rognan, Didier
International Journal of Molecular Sciences.  23 (2022)  20 - p. 12462 , 2022
Link: https://doi.org/10.3390/..
 
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5

Overlap of On‐demand Ultra‐large Combinatorial Spaces with ..:

Perebyinis, Mariana ; Rognan, Didier
Molecular Informatics.  42 (2022)  1 - p. , 2022
Link: https://doi.org/10.1002/..
 
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6

On the Frustration to Predict Binding Affinities from Prote..:

Volkov, Mikhail ; Turk, Joseph-André ; Drizard, Nicolas...
Journal of Medicinal Chemistry.  65 (2022)  11 - p. 7946-7958 , 2022
Link: https://doi.org/10.1021/..
 
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7

Target-Focused Library Design by Pocket-Applied Computer Vi..:

Eguida, Merveille ; Schmitt-Valencia, Christel ; Hibert, Marcel..
Journal of Medicinal Chemistry.  65 (2022)  20 - p. 13771-13783 , 2022
Link: https://doi.org/10.1021/..
 
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8

Targeting undruggable carbohydrate recognition sites throug..:

Shanina, Elena ; Kuhaudomlarp, Sakonwan ; Siebs, Eike...
Communications Chemistry.  5 (2022)  1 - p. , 2022
Link: https://doi.org/10.1038/..
 
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9

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/..
 
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10

Design, Synthesis and Biological Evaluation of Arylpyridin-..:

Bollenbach, Maud ; Nemska, Simona ; Wagner, Patrick...
Molecules.  26 (2021)  2 - p. 391 , 2021
Link: https://doi.org/10.3390/..
 
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11

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/..
 
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12

Targeting the Central Pocket of the Pseudomonas aeruginosa ..:

Siebs, Eike ; Shanina, Elena ; Kuhaudomlarp, Sakonwan...
ChemBioChem.  23 (2021)  3 - p. , 2021
Link: https://doi.org/10.1002/..
 
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13

Non‐Carbohydrate Glycomimetics as Inhibitors of Calcium(II)..:

Kuhaudomlarp, Sakonwan ; Siebs, Eike ; Shanina, Elena...
Angewandte Chemie.  133 (2021)  15 - p. 8185-8195 , 2021
Link: https://doi.org/10.1002/..
 
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14

Non‐Carbohydrate Glycomimetics as Inhibitors of Calcium(II)..:

Kuhaudomlarp, Sakonwan ; Siebs, Eike ; Shanina, Elena...
Angewandte Chemie International Edition.  60 (2021)  15 - p. 8104-8114 , 2021
Link: https://doi.org/10.1002/..
 
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15

Unexpected similarity between HIV-1 reverse transcriptase a..:

Eguida, Merveille ; Rognan, Didier
Journal of Cheminformatics.  13 (2021)  1 - p. , 2021
Link: https://doi.org/10.1186/..
 
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