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van Westen, Gerard J. P.
302  results:
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1

Computational Characterization of Membrane Proteins as Anti..:

Gorostiola González, Marina ; Rakers, Pepijn R. J. ; Jespers, Willem...
International Journal of Molecular Sciences.  25 (2024)  7 - p. 3698 , 2024
Link: https://doi.org/10.3390/..
 
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2

N-Acyl-N-Alkyl Sulfonamide Probes for Ligand-Directed Coval..:

Beerkens, Bert L. H. ; Andrianopoulou, Vasiliki ; Wang, Xuesong...
ACS Chemical Biology.  19 (2024)  7 - p. 1554-1562 , 2024
Link: https://doi.org/10.1021/..
 
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3

Still in Search for an EAAT Activator: GT949 Does Not Activ..:

van Veggel, Lieve ; Mocking, Tamara A.M. ; Sijben, Hubert J....
ACS Chemical Neuroscience.  15 (2024)  7 - p. 1424-1431 , 2024
Link: https://doi.org/10.1021/..
 
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4

Exploring novel dilazep derivatives as hENT1 inhibitors and..:

Dilweg, Majlen A. ; Gorostiola González, Marina ; de Ruiter, Martijn D....
Purinergic Signalling.  , 2024
Link: https://doi.org/10.1007/..
 
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5

DrugEx v3: scaffold-constrained drug design with graph tran..:

Liu, Xuhan ; Ye, Kai ; van Vlijmen, Herman W. T...
Journal of Cheminformatics.  15 (2023)  1 - p. , 2023
Link: https://doi.org/10.1186/..
 
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6

UnCorrupt SMILES: a novel approach to de novo design:

Schoenmaker, Linde ; Béquignon, Olivier J. M. ; Jespers, Willem.
Journal of Cheminformatics.  15 (2023)  1 - p. , 2023
Link: https://doi.org/10.1186/..
 
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7

DrugEx: Deep Learning Models and Tools for Exploration of D..:

Šícho, Martin ; Luukkonen, Sohvi ; van den Maagdenberg, Helle W....
Journal of Chemical Information and Modeling.  63 (2023)  12 - p. 3629-3636 , 2023
Link: https://doi.org/10.1021/..
 
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8

Large-Scale Modeling of Sparse Protein Kinase Activity Data:

Luukkonen, Sohvi ; Meijer, Erik ; Tricarico, Giovanni A....
Journal of Chemical Information and Modeling.  63 (2023)  12 - p. 3688-3696 , 2023
Link: https://doi.org/10.1021/..
 
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9

Molecular insights into disease-associated glutamate transp..:

Gorostiola González, Marina ; Sijben, Hubert J. ; Dall' Acqua, Laura...
Frontiers in Molecular Biosciences.  10 (2023)  - p. , 2023
Link: https://doi.org/10.3389/..
 
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10

3DDPDs: describing protein dynamics for proteochemometric b..:

Gorostiola González, Marina ; van den Broek, Remco L. ; Braun, Thomas G. M....
Journal of Cheminformatics.  15 (2023)  1 - p. , 2023
Link: https://doi.org/10.1186/..
 
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11

Development of an Affinity-Based Probe to Profile Endogenou..:

Beerkens, Bert L. H. ; Snijders, Inge M. ; Snoeck, Joep...
Journal of Medicinal Chemistry.  66 (2023)  16 - p. 11399-11413 , 2023
Link: https://doi.org/10.1021/..
 
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12

Collaborative SAR Modeling and Prospective In Vitro Validat..:

Béquignon, Olivier J. M. ; Gómez-Tamayo, Jose C. ; Lenselink, Eelke B....
Journal of Chemical Information and Modeling.  63 (2023)  17 - p. 5433-5445 , 2023
Link: https://doi.org/10.1021/..
 
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13

Artificial intelligence in multi-objective drug design:

Luukkonen, Sohvi ; van den Maagdenberg, Helle W. ; Emmerich, Michael T.M..
Current Opinion in Structural Biology.  79 (2023)  - p. 102537 , 2023
Link: https://doi.org/10.1016/..
 
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14

Proteochemometric Modeling Identifies Chemically Diverse No..:

Bongers, Brandon J. ; Sijben, Huub J. ; Hartog, Peter B. R....
Journal of Chemical Information and Modeling.  63 (2023)  6 - p. 1745-1755 , 2023
Link: https://doi.org/10.1021/..
 
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15

Preclinical evaluation of EpCAM-binding designed ankyrin re..:

Houvast, Ruben D. ; Badr, Nada ; March, Taryn...
European Journal of Nuclear Medicine and Molecular Imaging.  51 (2023)  8 - p. 2179-2192 , 2023
Link: https://doi.org/10.1007/..
 
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