Eelke Bart Lenselink
Eelke Bart Lenselink
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Beyond the hype: deep neural networks outperform established methods using a ChEMBL bioactivity benchmark set
EB Lenselink, N Ten Dijke, B Bongers, G Papadatos, HWT Van Vlijmen, ...
Journal of cheminformatics 9, 1-14, 2017
Polypharmacology modelling using proteochemometrics (PCM): recent methodological developments, applications to target families, and future prospects
I Cortés-Ciriano, QU Ain, V Subramanian, EB Lenselink, O Méndez-Lucio, ...
MedChemComm 6 (1), 24-50, 2015
Predicting binding affinities for GPCR ligands using free-energy perturbation
EB Lenselink, J Louvel, AF Forti, JPD van Veldhoven, H de Vries, ...
ACS omega 1 (2), 293-304, 2016
Sodium ion binding pocket mutations and adenosine A2A receptor function
A Massink, H Gutiérrez-de-Terán, EB Lenselink, NVO Zacarías, L Xia, ...
Molecular pharmacology 87 (2), 305-313, 2015
Relative binding free energy calculations applied to protein homology models
D Cappel, ML Hall, EB Lenselink, T Beuming, J Qi, J Bradner, W Sherman
Journal of chemical information and modeling 56 (12), 2388-2400, 2016
Drug discovery maps, a machine learning model that visualizes and predicts kinome–inhibitor interaction landscapes
APA Janssen, SH Grimm, RHM Wijdeven, EB Lenselink, J Neefjes, ...
Journal of Chemical Information and Modeling 59 (3), 1221-1229, 2018
Selecting an Optimal Number of Binding Site Waters To Improve Virtual Screening Enrichments Against the Adenosine A2A Receptor
EB Lenselink, T Beuming, W Sherman, HWT van Vlijmen, AP IJzerman
Journal of chemical information and modeling 54 (6), 1737-1746, 2014
Intracellular receptor modulation: novel approach to target GPCRs
NVO Zacarías, EB Lenselink, AP IJzerman, TM Handel, LH Heitman
Trends in pharmacological sciences 39 (6), 547-559, 2018
Accurate prediction of GPCR ligand binding affinity with free energy perturbation
F Deflorian, L Perez-Benito, EB Lenselink, M Congreve, HWT van Vlijmen, ...
Journal of Chemical Information and Modeling 60 (11), 5563-5579, 2020
Discovery and mapping of an intracellular antagonist binding site at the chemokine receptor CCR2
AJM Zweemer, J Bunnik, M Veenhuizen, F Miraglia, EB Lenselink, ...
Molecular pharmacology 86 (4), 358-368, 2014
Proteochemometric modeling in a Bayesian framework
I Cortes-Ciriano, GJP van Westen, EB Lenselink, DS Murrell, A Bender, ...
Journal of Cheminformatics 6, 1-16, 2014
Structure-kinetics relationships of Capadenoson derivatives as adenosine A1 receptor agonists
J Louvel, D Guo, M Soethoudt, TAM Mocking, EB Lenselink, ...
European Journal of Medicinal Chemistry 101, 681-691, 2015
Development of Covalent Ligands for G Protein-Coupled Receptors: A Case for the Human Adenosine A3 Receptor
X Yang, JPD van Veldhoven, J Offringa, BJ Kuiper, EB Lenselink, ...
Journal of medicinal chemistry 62 (7), 3539-3552, 2019
Removal of Human Ether-à-go-go Related Gene (hERG) K+ Channel Affinity through Rigidity: A Case of Clofilium Analogues
J Louvel, JFS Carvalho, Z Yu, M Soethoudt, EB Lenselink, E Klaasse, ...
Journal of Medicinal Chemistry 56 (23), 9427-9440, 2013
Enhancing hit discovery in virtual screening through absolute protein–ligand binding free-energy calculations
W Chen, D Cui, SV Jerome, M Michino, EB Lenselink, DJ Huggins, ...
Journal of Chemical Information and Modeling 63 (10), 3171-3185, 2023
5′-Substituted Amiloride Derivatives as Allosteric Modulators Binding in the Sodium Ion Pocket of the Adenosine A2A Receptor
A Massink, J Louvel, I Adlere, C van Veen, BJH Huisman, GS Dijksteel, ...
Journal of medicinal chemistry 59 (10), 4769-4777, 2016
A covalent antagonist for the human adenosine A2A receptor
X Yang, G Dong, TJM Michiels, EB Lenselink, L Heitman, J Louvel, ...
Purinergic Signalling 13, 191-201, 2017
A yeast screening method to decipher the interaction between the adenosine A2B receptor and the C-terminus of different G protein α-subunits
R Liu, NJA Groenewoud, MC Peeters, EB Lenselink, AP IJzerman
Purinergic signalling 10, 441-453, 2014
Pyrrolone derivatives as intracellular allosteric modulators for chemokine receptors: selective and dual-targeting inhibitors of CC chemokine receptors 1 and 2
NV Ortiz Zacarías, JPD van Veldhoven, L Portner, E van Spronsen, S Ullo, ...
Journal of Medicinal Chemistry 61 (20), 9146-9161, 2018
Structure–Affinity Relationships and Structure–Kinetics Relationships of Pyrido[2,1-f]purine-2,4-dione Derivatives as Human Adenosine A3 Receptor Antagonists
L Xia, WAC Burger, JPD van Veldhoven, BJ Kuiper, TT van Duijl, ...
Journal of Medicinal Chemistry 60 (17), 7555-7568, 2017
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