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Iwan J. P. de Esch

vrije universiteit amsterdam

54H-index
292Paper Count
9.8KCitation Count
Published Papers 131
Publication Date
Fragment-to-Lead Medicinal Chemistry Publications in 2024: A Tenth Annual Perspective (vol 68, pg 24830, 2025)
err2026-01-01
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PREAI
errTwigg, David G.; Arai, Kenta; Arkin, Michelle R.; Erlanson, Daniel A.; de Esch, Iwan J. P.; Farkas, Barbara; Fesik, Stephen W.; Jahnke, Wolfgang; Johnson, Christopher N.; Schroeder, Martin
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Fragment-to-Lead Medicinal Chemistry Publications in 2024: A Tenth Annual Perspective
err2025-11-25
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PREAI
errDavid G. Twigg; Kenta Arai; Michelle R. Arkin; Daniel A. Erlanson; Iwan J. P. de Esch; Barbara Farkaš; Stephen W. Fesik; Wolfgang Jahnke; Christopher N. Johnson; Martin Schroeder
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Inhibition of constitutive activity of the atypical chemokine receptor ACKR3 by the small-molecule inverse agonist VUF16840
err2025-10-26
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errReggie Bosma; Desislava Nesheva; Merel Rijnsburger; Rick Riemens; Justyna M. Adamska; Max Meyrath; Simon Mobach; C.Maurice Buzink; Suzanne van der Pol; Iwan J.P. de Esch; Martyna Szpakowska; Maikel Wijtmans; Andy Chevigne; Henry F. Vischer; Rob Leurs
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Comparative analysis of molecular 3D metrics in fragment space and beyond
err2025-07-29
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errTom Dekker; Maikel Wijtmans; Iwan J.P. de Esch
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Characterization of [3H]AZ12464237 as a high affinity, non-nucleotide antagonist radioligand for the P2Y12 receptor
err2025-07-01
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errSteen, E. Johanna L.; Tousiaki, Efthalia-Natalia; Kingston, Lee; van der Wildt, Berend; Lenart, Nikolett; Beaino, Wissam; Verlaan, Mariska; Zarzycka, Barbara; Zinnhardt, Bastian; Denes, Adam; Gobbi, Luca; de Esch, Iwan J. P.; Elmore, Charles S.; Windhorst, Albert D.; Honer, Michael; Leurs, Rob
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Design, Synthesis and Pharmacological Characterization of the First Photoswitchable Small-Molecule Agonist for the Atypical Chemokine Receptor 3
err2025-02-18
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errBerenger, Sophie; Adamska, Justyna M.; Deflorian, Francesca; de Graaf, Chris; Palmer, Christie B.; Szpakowska, Martyna; Chevigne, Andy; de Esch, Iwan J. P.; Zarzycka, Barbara; Vischer, Henry F.; Wijtmans, Maikel; Leurs, Rob
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Probing the Histamine H1 Receptor Binding Site to Explore Ligand Binding Kinetics
err2024-12-26
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errKuhne, Sebastiaan; Bosma, Reggie; Kooistra, Albert J.; Riemens, Rick; Stroet, Marc C. M.; Vischer, Henry F.; de Graaf, Chris; Wijtmans, Maikel; Leurs, Rob; de Esch, Iwan J. P.
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The Role of Water Networks in Phosphodiesterase Inhibitor Dissociation and Kinetic Selectivity
err2024-09-12
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PREAI
errBlaazer, Antoni R.; Singh, Abhimanyu K.; Zara, Lorena; Boronat, Pierre; Bautista, Lady J.; Irving, Steve; Majewski, Maciej; Barril, Xavier; Wijtmans, Maikel; Danielson, U. Helena; Sterk, Geert Jan; Leurs, Rob; van Muijlwijk-Koezen, Jacqueline E.; Brown, David G.; de Esch, Iwan J. P.
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Lead Optimization of the 5-Phenylpyrazolopyrimidinone NPD-2975 toward Compounds with Improved Antitrypanosomal Efficacy
err2024-02-08
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errZheng, Yang; van den Kerkhof, Magali; Ibrahim, Mohamed; De Esch, Iwan J. P.; Maes, Louis; Sterk, Geert Jan; Caljon, Guy; Leurs, Rob
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Fragment-to-Lead Medicinal Chemistry Publications in 2022
err2024-01-30
err7
PREAI
errWoodhead, Andrew J.; Erlanson, Daniel A.; de Esch, Iwan J. P.; Holvey, Rhian S.; Jahnke, Wolfgang; Pathuri, Puja
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PSW-Designer: An Open-Source Computational Platform for the Design and Virtual Screening of Photopharmacological Ligands
err2023-10-13
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errSimon, Icaro A.; Homan, Evert J.; Wijtmans, Maikel; Sundstrom, Michael; Leurs, Rob; De Esch, Iwan J. P.; Zarzycka, Barbara A.
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Discovery of 5-Phenylpyrazolopyrimidinone Analogs as Potent Antitrypanosomal Agents with In Vivo Efficacy
err2023-07-20
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errZheng, Yang; van den Kerkhof, Magali; van der Meer, Tiffany; Gul, Sheraz; Kuzikov, Maria; Ellinger, Bernhard; de Esch, Iwan J. P.; Siderius, Marco; Matheeussen, An; Maes, Louis; Sterk, Geert Jan; Caljon, Guy; Leurs, Rob
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An Automated, Open-Source Workflow for the Generation of (3D) Fragment Libraries
err2023-05-02
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errDekker, Tom; Janssen, Mathilde A. C. H.; Sutherland, Christina; Aben, Rene W. M.; Scheeren, Hans W.; Blanco-Ania, Daniel; Rutjes, Floris P. J. T.; Wijtmans, Maikel; de Esch, Iwan J. P.
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Green Drug Discovery: Novel Fragment Space from the Biomass-Derived Molecule Dihydrolevoglucosenone (Cyrene™)
err2023-02-13
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errDekker, Tom; Harteveld, Jaap W. W.; Wagner, Gabor; de Vries, Max C. M.; Custers, Hans; van de Stolpe, Andrea C.; de Esch, Iwan J. P.; Wijtmans, Maikel
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Fragment-to-Lead Medicinal Chemistry Publications in 2021
err2023-01-09
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errWalsh, Louise; Erlanson, Daniel A.; de Esch, Iwan J. P.; Jahnke, Wolfgang; Woodhead, Andrew; Wren, Ella
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Escape from planarity in fragment-based drug discovery: A synthetic strategy analysis of synthetic 3D fragment libraries
err2022-09-01
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errKlein, Hanna F.; Hamilton, David J.; de Esch, Iwan J. P.; Wijtmans, Maikel; O'Brien, Peter
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Exploring the Activity Profile of TbrPDEB1 and hPDE4 Inhibitors Using Free Energy Perturbation
err2022-05-23
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errZara, Lorena; Moraca, Francesca; Van Muijlwijk-Koezen, Jacqueline E.; Zarzycka, Barbara; Abel, Robert; de Esch, Iwan J. P.
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Puckering the Planar Landscape of Fragments: Design and Synthesis of a 3D Cyclobutane Fragment Library
err2022-03-30
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errHamilton, David J.; Beemsterboer, Marieke; Carter, Caroline M.; Elsayed, Jasmina; Huiberts, Rilana E. M.; Klein, Hanna F.; O'Brien, Peter; de Esch, Iwan J. P.; Wijtmans, Maikel
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Absorbing knowledge from an emerging field: The role of interfacing by proponents in big pharma
err2022-02-01
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errRomasanta, Angelo K. S.; van der Sijde, Peter; de Esch, Iwan J. P.
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