KLIFS: an overhaul after the first 5 years of supporting kinase research
Kanev, Georgi K, de Graaf, Chris, Westerman, Bart A, de Esch, Iwan J P, Kooistra, Albert J
Published in Nucleic acids research (08.01.2021)
Published in Nucleic acids research (08.01.2021)
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Journal Article
Predicting the target landscape of kinase inhibitors using 3D convolutional neural networks
Kanev, Georgi K, Zhang, Yaran, Kooistra, Albert J, Bender, Andreas, Leurs, Rob, Bailey, David, Würdinger, Thomas, de Graaf, Chris, de Esch, Iwan J. P, Westerman, Bart A
Published in PLoS computational biology (05.09.2023)
Published in PLoS computational biology (05.09.2023)
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Journal Article
Green Drug Discovery: Novel Fragment Space from the Biomass-Derived Molecule Dihydrolevoglucosenone (Cyrene TM )
Dekker, Tom, Harteveld, Jaap W, Wágner, Gábor, de Vries, Max C M, Custers, Hans, van de Stolpe, Andrea C, de Esch, Iwan J P, Wijtmans, Maikel
Published in Molecules (Basel, Switzerland) (13.02.2023)
Published in Molecules (Basel, Switzerland) (13.02.2023)
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Journal Article
Pentameric ligand-gated ion channel ELIC is activated by GABA and modulated by benzodiazepines
Spurny, Radovan, Ramerstorfer, Joachim, Price, Kerry, Brams, Marijke, Ernst, Margot, Nury, Hugues, Verheij, Mark, Legrand, Pierre, Bertrand, Daniel, Bertrand, Sonia, Dougherty, Dennis A, de Esch, Iwan J. P, Corringer, Pierre-Jean, Sieghart, Werner, Lummis, Sarah C. R, Ulens, Chris
Published in Proceedings of the National Academy of Sciences - PNAS (30.10.2012)
Published in Proceedings of the National Academy of Sciences - PNAS (30.10.2012)
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Journal Article
Photoswitching the Efficacy of a Small‐Molecule Ligand for a Peptidergic GPCR: from Antagonism to Agonism
Gómez‐Santacana, Xavier, de Munnik, Sabrina M., Vijayachandran, Prashanna, Da Costa Pereira, Daniel, Bebelman, Jan Paul M., de Esch, Iwan J. P., Vischer, Henry F., Wijtmans, Maikel, Leurs, Rob
Published in Angewandte Chemie International Edition (03.09.2018)
Published in Angewandte Chemie International Edition (03.09.2018)
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Journal Article
Development of a Selective ESI-MS Derivatization Reagent: Synthesis and Optimization for the Analysis of Aldehydes in Biological Mixtures
Eggink, Mark, Wijtmans, Maikel, Ekkebus, Reggy, Lingeman, Henk, Esch, Iwan J. P. de, Kool, Jeroen, Niessen, Wilfried M. A, Irth, Hubertus
Published in Analytical chemistry (Washington) (01.12.2008)
Published in Analytical chemistry (Washington) (01.12.2008)
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Discovery of fragments inducing conformational effects in dynamic proteins using a second-harmonic generation biosensor
FitzGerald, Edward A, Butko, Margaret T, Boronat, Pierre, Cederfelt, Daniela, Abramsson, Mia, Ludviksdottir, Hildur, van Muijlwijk-Koezen, Jacqueline E, de Esch, Iwan J. P, Dobritzsch, Doreen, Young, Tracy, Danielson, U. Helena
Published in RSC advances (17.02.2021)
Published in RSC advances (17.02.2021)
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Journal Article
Fragment-to-Lead Medicinal Chemistry Publications in 2020
de Esch, Iwan J. P, Erlanson, Daniel A, Jahnke, Wolfgang, Johnson, Christopher N, Walsh, Louise
Published in Journal of medicinal chemistry (13.01.2022)
Published in Journal of medicinal chemistry (13.01.2022)
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Journal Article
Fragment-to-Lead Medicinal Chemistry Publications in 2018
Erlanson, Daniel A, de Esch, Iwan J. P, Jahnke, Wolfgang, Johnson, Christopher N, Mortenson, Paul N
Published in Journal of medicinal chemistry (14.05.2020)
Published in Journal of medicinal chemistry (14.05.2020)
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Journal Article
3D-e-Chem-VM: Structural Cheminformatics Research Infrastructure in a Freely Available Virtual Machine
McGuire, Ross, Verhoeven, Stefan, Vass, Márton, Vriend, Gerrit, de Esch, Iwan J. P, Lusher, Scott J, Leurs, Rob, Ridder, Lars, Kooistra, Albert J, Ritschel, Tina, de Graaf, Chris
Published in Journal of chemical information and modeling (27.02.2017)
Published in Journal of chemical information and modeling (27.02.2017)
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Journal Article
Structural Analysis of Chemokine Receptor–Ligand Interactions
Arimont, Marta, Sun, Shan-Liang, Leurs, Rob, Smit, Martine, de Esch, Iwan J. P, de Graaf, Chris
Published in Journal of medicinal chemistry (22.06.2017)
Published in Journal of medicinal chemistry (22.06.2017)
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Journal Article
3D‐e‐Chem: Structural Cheminformatics Workflows for Computer‐Aided Drug Discovery
Kooistra, Albert J., Vass, Márton, McGuire, Ross, Leurs, Rob, de Esch, Iwan J. P., Vriend, Gert, Verhoeven, Stefan, de Graaf, Chris
Published in ChemMedChem (20.03.2018)
Published in ChemMedChem (20.03.2018)
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Journal Article
Fragment Growing Induces Conformational Changes in Acetylcholine-Binding Protein: A Structural and Thermodynamic Analysis
Edink, Ewald, Rucktooa, Prakash, Retra, Kim, Akdemir, Atilla, Nahar, Tariq, Zuiderveld, Obbe, van Elk, René, Janssen, Elwin, van Nierop, Pim, van Muijlwijk-Koezen, Jacqueline, Smit, August B, Sixma, Titia K, Leurs, Rob, de Esch, Iwan J. P
Published in Journal of the American Chemical Society (13.04.2011)
Published in Journal of the American Chemical Society (13.04.2011)
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Journal Article
To Target or Not to Target Schistosoma mansoni Cyclic Nucleotide Phosphodiesterase 4A?
Zheng, Yang, Schroeder, Susanne, Kanev, Georgi K, Botros, Sanaa S, William, Samia, Sabra, Abdel-Nasser A, Maes, Louis, Caljon, Guy, Gil, Carmen, Martinez, Ana, Salado, Irene G, Augustyns, Koen, Edink, Ewald, Sijm, Maarten, de Heuvel, Erik, de Esch, Iwan J P, van der Meer, Tiffany, Siderius, Marco, Sterk, Geert Jan, Brown, David, Leurs, Rob
Published in International journal of molecular sciences (06.04.2023)
Published in International journal of molecular sciences (06.04.2023)
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Journal Article
Fragment-to-Lead Medicinal Chemistry Publications in 2019
Jahnke, Wolfgang, Erlanson, Daniel A, de Esch, Iwan J. P, Johnson, Christopher N, Mortenson, Paul N, Ochi, Yuji, Urushima, Tatsuya
Published in Journal of medicinal chemistry (24.12.2020)
Published in Journal of medicinal chemistry (24.12.2020)
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Journal Article
A toolbox of molecular photoswitches to modulate the CXCR3 chemokine receptor with light
Gómez-Santacana, Xavier, de Munnik, Sabrina M, Mocking, Tamara A M, Hauwert, Niels J, Sun, Shanliang, Vijayachandran, Prashanna, de Esch, Iwan J P, Vischer, Henry F, Wijtmans, Maikel, Leurs, Rob
Published in Beilstein journal of organic chemistry (23.10.2019)
Published in Beilstein journal of organic chemistry (23.10.2019)
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Journal Article
Aminergic GPCR–Ligand Interactions: A Chemical and Structural Map of Receptor Mutation Data
Vass, Márton, Podlewska, Sabina, de Esch, Iwan J. P, Bojarski, Andrzej J, Leurs, Rob, Kooistra, Albert J, de Graaf, Chris
Published in Journal of medicinal chemistry (25.04.2019)
Published in Journal of medicinal chemistry (25.04.2019)
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Journal Article
PDEStrIAn: A Phosphodiesterase Structure and Ligand Interaction Annotated Database As a Tool for Structure-Based Drug Design
Jansen, Chimed, Kooistra, Albert J, Kanev, Georgi K, Leurs, Rob, de Esch, Iwan J. P, de Graaf, Chris
Published in Journal of medicinal chemistry (11.08.2016)
Published in Journal of medicinal chemistry (11.08.2016)
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