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Eguida, Merveille
23  results:
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1

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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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/..
 
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3

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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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

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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6

A Computer Vision Approach to Align and Compare Protein Cav..:

Eguida, Merveille ; Rognan, Didier
Journal of Medicinal Chemistry.  63 (2020)  13 - p. 7127-7142 , 2020
Link: https://doi.org/10.1021/..
 
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7

Large-Scale Assessment of Binding Free Energy Calculations ..:

Schindler, Christina E. M. ; Baumann, Hannah ; Blum, Andreas...
Journal of Chemical Information and Modeling.  60 (2020)  11 - p. 5457-5474 , 2020
Link: https://doi.org/10.1021/..
 
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8

Target-focused library design by pocket-applied computer vi..:

Eguida, Merveille ; Schmitt-Valencia, Christel ; Hibert, Marcel..
info:eu-repo/semantics/altIdentifier/doi/10.1021/acs.jmedchem.2c00931.  , 2022
Link: https://hal.science/hal-..
 
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9

Target-focused library design by pocket-applied computer vi..:

Eguida, Merveille ; Valencia-Schmitt, Christel ; Hibert, Marcel..
doi:10.1021/acs.jmedchem.2c00931.  , 2022
Link: https://zenodo.org/recor..
 
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10

Estimating the Similarity between Protein Pockets:

Eguida, Merveille ; Rognan, Didier
info:eu-repo/semantics/altIdentifier/doi/10.3390/ijms232012462.  , 2022
Link: https://hal.science/hal-..
 
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11

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

Eguida, Merveille ; Rognan, Didier
info:eu-repo/semantics/altIdentifier/doi/10.1186/s13321-021-00567-3.  , 2021
Link: https://hal.archives-ouv..
 
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12

ProCare – A Computer Vision Approach to Align Protein Cavit..:

Eguida, Merveille ; Rognan, Didier
doi:10.1021/acs.jmedchem.0c00422.  , 2020
Link: https://zenodo.org/recor..
 
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13

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

François Sindt ; Anthony Seyller ; Merveille Eguida.
doi:10.1021/acscentsci.3c01521.s002.  , 2024
Link: https://doi.org/10.1021/..
 
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14

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

François Sindt ; Anthony Seyller ; Merveille Eguida.
https://figshare.com/articles/journal_contribution/Protein_Structure-Based_Organic_Chemistry-Driven_Ligand_Design_from_Ultralarge_Chemical_Spaces/25211276.  , 2024
Link: https://doi.org/10.1021/..
 
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15

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

François Sindt ; Anthony Seyller ; Merveille Eguida.
https://figshare.com/articles/journal_contribution/Protein_Structure-Based_Organic_Chemistry-Driven_Ligand_Design_from_Ultralarge_Chemical_Spaces/25211279.  , 2024
Link: https://doi.org/10.1021/..
 
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