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Purinergic Signalling|July 9, 2023
Kinetic profiling of novel spirobenzo-oxazinepiperidinone derivatives as equilibrative nucleoside transporter 1 inhibitorsAnna Vlachodimou, Jara Bouma, Michel De Cleyn, et al.Journal of Cheminformatics|November 1, 2017
Beyond the hype: deep neural networks outperform established methods using a ChEMBL bioactivity benchmark setEelke B Lenselink, Niels Ten Dijke, Brandon Bongers, et al.Molecular Pharmacology|July 28, 2017
A Novel Selective Inverse Agonist of the CB2 Receptor as a Radiolabeled Tool Compound for Kinetic Binding StudiesAndrea Martella, Huub Sijben, Arne C Rufer, et al.Journal of Cheminformatics|February 16, 2019
Identification of novel small molecule inhibitors for solute carrier SGLT1 using proteochemometric modelingLindsey Burggraaff, Paul Oranje, Robin Gouka, et al.ACS Chemical Biology|October 24, 2022
A Chemical Biological Approach to Study G Protein-Coupled Receptors: Labeling the Adenosine A1 Receptor Using an Electrophilic Covalent ProbeBert L H Beerkens, Çağla Koç, Rongfang Liu, et al.EMBO Molecular Medicine|July 30, 2016
A new hERG allosteric modulator rescues genetic and drug-induced long-QT syndrome phenotypes in cardiomyocytes from isogenic pairs of patient induced pluripotent stem cellsLuca Sala, Zhiyi Yu, Dorien Ward-van Oostwaard, et al.Journal of Cheminformatics|September 25, 2013
Benchmarking of protein descriptor sets in proteochemometric modeling (part 2): modeling performance of 13 amino acid descriptor setsGerard Jp van Westen, Remco F Swier, Isidro Cortes-Ciriano, et al.Molecular Pharmacology|December 5, 2014
Sodium ion binding pocket mutations and adenosine A2A receptor functionArnault Massink, Hugo Gutiérrez-de-Terán, Eelke B Lenselink, et al.Biochemical Pharmacology|September 18, 2002
Modulation of agonist responses at the A(1) adenosine receptor by an irreversible antagonist, receptor-G protein uncoupling and by the G protein activation stateAnna Lorenzen, Margot W Beukers, Piet Hein van der Graaf, et al.Plos One|December 2, 2011
Which compound to select in lead optimization? Prospectively validated proteochemometric models guide preclinical developmentGerard J P van Westen, Jörg K Wegner, Peggy Geluykens, et al.Pageof 33