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de Graaf, Chris
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1

Conformational dynamics underlying atypical chemokine recep..:

Otun, Omolade ; Aljamous, Christelle ; Del Nero, Elise...
Proceedings of the National Academy of Sciences.  121 (2024)  30 - p. , 2024
Link: https://doi.org/10.1073/..
 
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2

MolScore: a scoring, evaluation and benchmarking framework ..:

Thomas, Morgan ; O'Boyle, Noel M. ; Bender, Andreas.
Journal of Cheminformatics.  16 (2024)  1 - p. , 2024
Link: https://doi.org/10.1186/..
 
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3

Small Molecule Fluorescent Ligands for the Atypical Chemoki..:

Dekkers, Sebastian ; Comez, Dehan ; Karsai, Noemi...
ACS Medicinal Chemistry Letters.  15 (2023)  1 - p. 143-148 , 2023
Link: https://doi.org/10.1021/..
 
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4

Integrating structure-based approaches in generative molecu..:

Thomas, Morgan ; Bender, Andreas ; de Graaf, Chris
Current Opinion in Structural Biology.  79 (2023)  - p. 102559 , 2023
Link: https://doi.org/10.1016/..
 
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5

Predicting the target landscape of kinase inhibitors using ..:

Kanev, Georgi K. ; Zhang, Yaran ; Kooistra, Albert J....
PLOS Computational Biology.  19 (2023)  9 - p. e1011301 , 2023
Link: https://doi.org/10.1371/..
 
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6

Alchemical Free Energy Calculations on Membrane-Associated ..:

Papadourakis, Michail ; Sinenka, Hryhory ; Matricon, Pierre...
Journal of Chemical Theory and Computation.  19 (2023)  21 - p. 7437-7458 , 2023
Link: https://doi.org/10.1021/..
 
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7

Editorial overview: Artificial intelligence (AI) methodolog..:

Bender, Andreas ; de Graaf, Chris ; O'Boyle, Noel M.
Current Opinion in Structural Biology.  82 (2023)  - p. 102676 , 2023
Link: https://doi.org/10.1016/..
 
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8

Editorial: Peptide-binding GPCRs coming of age:

Di Pizio, Antonella ; Bermudez, Marcel ; De Graaf, Chris.
Frontiers in Endocrinology.  14 (2023)  - p. , 2023
Link: https://doi.org/10.3389/..
 
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9

Augmented Hill-Climb increases reinforcement learning effic..:

Thomas, Morgan ; O'Boyle, Noel M. ; Bender, Andreas.
Journal of Cheminformatics.  14 (2022)  1 - p. , 2022
Link: https://doi.org/10.1186/..
 
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10

Classification Model for the Second Extracellular Loop of C..:

Nicoli, Alessandro ; Dunkel, Andreas ; Giorgino, Toni..
Journal of Chemical Information and Modeling.  62 (2022)  3 - p. 511-522 , 2022
Link: https://doi.org/10.1021/..
 
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11

SAR exploration of the non‐imidazole histamine H3 receptor ..:

Wágner, Gábor ; Mocking, Tamara A. M. ; Ma, Xiaoyuan...
Archiv der Pharmazie.  356 (2022)  1 - p. , 2022
Link: https://doi.org/10.1002/..
 
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12

Comparison of structure- and ligand-based scoring functions..:

Thomas, Morgan ; Smith, Robert T. ; O'Boyle, Noel M...
Journal of Cheminformatics.  13 (2021)  1 - p. , 2021
Link: https://doi.org/10.1186/..
 
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13

Vanishing white matter: Eukaryotic initiation factor 2B mod..:

Slynko, Inna ; Nguyen, Stephanie ; Hamilton, Eline M. C....
Molecular Genetics & Genomic Medicine.  9 (2021)  3 - p. , 2021
Link: https://doi.org/10.1002/..
 
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14

Discovery of Novel Allosteric Modulators Targeting an Extra..:

Zhou, Qingtong ; Guo, Wanjing ; Dai, Antao...
Biomolecules.  11 (2021)  7 - p. 929 , 2021
Link: https://doi.org/10.3390/..
 
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15

From structure to clinic: Design of a muscarinic M1 recepto..:

Brown, Alastair J.H. ; Bradley, Sophie J. ; Marshall, Fiona H....
Cell.  184 (2021)  24 - p. 5886-5901.e22 , 2021
Link: https://doi.org/10.1016/..
 
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