Modeling the β-secretase cleavage site and humanizing amyloid-beta precursor protein in rat and mouse to study Alzheimer’s disease
Serneels, Lutgarde, T’Syen, Dries, Perez-Benito, Laura, Theys, Tom, Holt, Matthew G., De Strooper, Bart
Published in Molecular neurodegeneration (19.10.2020)
Published in Molecular neurodegeneration (19.10.2020)
Get full text
Journal Article
Predicting Binding Free Energies of PDE2 Inhibitors. The Difficulties of Protein Conformation
Pérez-Benito, Laura, Keränen, Henrik, van Vlijmen, Herman, Tresadern, Gary
Published in Scientific reports (20.03.2018)
Published in Scientific reports (20.03.2018)
Get full text
Journal Article
Discovery of Homobivalent Bitopic Ligands of the Cannabinoid CB2 Receptor
Morales, Paula, Navarro, Gemma, Gómez‐Autet, Marc, Redondo, Laura, Fernández‐Ruiz, Javier, Pérez‐Benito, Laura, Cordomí, Arnau, Pardo, Leonardo, Franco, Rafael, Jagerovic, Nadine
Published in Chemistry : a European journal (04.12.2020)
Published in Chemistry : a European journal (04.12.2020)
Get full text
Journal Article
Alchemical Free Energy Calculations on Membrane-Associated Proteins
Papadourakis, Michail, Sinenka, Hryhory, Matricon, Pierre, Hénin, Jérôme, Brannigan, Grace, Pérez-Benito, Laura, Pande, Vineet, van Vlijmen, Herman, de Graaf, Chris, Deflorian, Francesca, Tresadern, Gary, Cecchini, Marco, Cournia, Zoe
Published in Journal of chemical theory and computation (14.11.2023)
Published in Journal of chemical theory and computation (14.11.2023)
Get full text
Journal Article
Structural basis for the oligomerization-facilitated NLRP3 activation
Yu, Xiaodi, Matico, Rosalie E, Miller, Robyn, Chauhan, Dhruv, Van Schoubroeck, Bertrand, Grauwen, Karolien, Suarez, Javier, Pietrak, Beth, Haloi, Nandan, Yin, Yanting, Tresadern, Gary John, Perez-Benito, Laura, Lindahl, Erik, Bottelbergs, Astrid, Oehlrich, Daniel, Van Opdenbosch, Nina, Sharma, Sujata
Published in Nature communications (07.02.2024)
Published in Nature communications (07.02.2024)
Get full text
Journal Article
Reduction of stress responses in honey bees by synthetic ligands targeting an allatostatin receptor
Sánchez-Morales, Adrià, Gigoux, Véronique, Matsoukas, Minos-Timotheos, Perez-Benito, Laura, Fourmy, Daniel, Alibes, Ramón, Busqué, Félix, Cordomí, Arnau, Devaud, Jean-Marc
Published in Scientific reports (06.10.2022)
Published in Scientific reports (06.10.2022)
Get full text
Journal Article
Acylguanidine Beta Secretase 1 Inhibitors: A Combined Experimental and Free Energy Perturbation Study
Keränen, Henrik, Pérez-Benito, Laura, Ciordia, Myriam, Delgado, Francisca, Steinbrecher, Thomas B, Oehlrich, Daniel, van Vlijmen, Herman W. T, Trabanco, Andrés A, Tresadern, Gary
Published in Journal of chemical theory and computation (14.03.2017)
Published in Journal of chemical theory and computation (14.03.2017)
Get full text
Journal Article
Design of a True Bivalent Ligand with Picomolar Binding Affinity for a G Protein-Coupled Receptor Homodimer
Pulido, Daniel, Casadó-Anguera, Verònica, Pérez-Benito, Laura, Moreno, Estefanía, Cordomí, Arnau, López, Laura, Cortés, Antoni, Ferré, Sergi, Pardo, Leonardo, Casadó, Vicent, Royo, Miriam
Published in Journal of medicinal chemistry (25.10.2018)
Published in Journal of medicinal chemistry (25.10.2018)
Get full text
Journal Article
Computational Drug Design Applied to the Study of Metabotropic Glutamate Receptors
Llinas Del Torrent, Claudia, Pérez-Benito, Laura, Tresadern, Gary
Published in Molecules (Basel, Switzerland) (20.03.2019)
Published in Molecules (Basel, Switzerland) (20.03.2019)
Get full text
Journal Article
Dataset for quantum-mechanical exploration of conformers and solvent effects in large drug-like molecules
Medrano Sandonas, Leonardo, Van Rompaey, Dries, Fallani, Alessio, Hilfiker, Mathias, Hahn, David, Perez-Benito, Laura, Verhoeven, Jonas, Tresadern, Gary, Kurt Wegner, Joerg, Ceulemans, Hugo, Tkatchenko, Alexandre
Published in Scientific data (07.07.2024)
Published in Scientific data (07.07.2024)
Get full text
Journal Article
Discovery of 8‑Trifluoromethyl-3-cyclopropylmethyl-7-[(4-(2,4-difluorophenyl)-1-piperazinyl)methyl]-1,2,4-triazolo[4,3‑a]pyridine (JNJ-46356479), a Selective and Orally Bioavailable mGlu2 Receptor Positive Allosteric Modulator (PAM)
Cid, Jose María, Tresadern, Gary, Vega, Juan Antonio, de Lucas, Ana Isabel, del Cerro, Alcira, Matesanz, Encarnación, Linares, María Lourdes, García, Aránzazu, Iturrino, Laura, Pérez-Benito, Laura, Macdonald, Gregor J, Oehlrich, Daniel, Lavreysen, Hilde, Peeters, Luc, Ceusters, Marc, Ahnaou, Abdellah, Drinkenburg, Wilhelmus, Mackie, Claire, Somers, Marijke, Trabanco, Andrés A
Published in Journal of medicinal chemistry (22.09.2016)
Published in Journal of medicinal chemistry (22.09.2016)
Get full text
Journal Article
Covalent Allosteric Probe for the Metabotropic Glutamate Receptor 2: Design, Synthesis, and Pharmacological Characterization
Doornbos, Maarten L. J, Wang, Xuesong, Vermond, Sophie C, Peeters, Luc, Pérez-Benito, Laura, Trabanco, Andrés A, Lavreysen, Hilde, Cid, José María, Heitman, Laura H, Tresadern, Gary, IJzerman, Adriaan P
Published in Journal of medicinal chemistry (10.01.2019)
Published in Journal of medicinal chemistry (10.01.2019)
Get full text
Journal Article
Molecular mechanism of positive allosteric modulation of the metabotropic glutamate receptor 2 by JNJ‐46281222
Doornbos, Maarten L J, Pérez‐Benito, Laura, Tresadern, Gary, Mulder‐Krieger, Thea, Biesmans, Ilse, Trabanco, Andrés A, Cid, Jose María, Lavreysen, Hilde, IJzerman, Adriaan P, Heitman, Laura H
Published in British journal of pharmacology (01.02.2016)
Published in British journal of pharmacology (01.02.2016)
Get full text
Journal Article