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Molecules (Basel, Switzerland)|March 23, 2019
Computational Drug Design Applied to the Study of Metabotropic Glutamate ReceptorsClaudia Llinas Del Torrent, Laura Pérez-Benito, Gary TresadernScientific Reports|March 22, 2018
Predicting Binding Free Energies of PDE2 Inhibitors. The Difficulties of Protein ConformationLaura Pérez-Benito, Henrik Keränen, Herman van Vlijmen, et al.Advances in Pharmacology (San Diego, Calif.)|May 18, 2020
The computational modeling of allosteric modulation of metabotropic glutamate receptorsLaura Pérez-Benito, Claudia Llinas Del Torrent, Leonardo Pardo, et al.Journal of Chemical Information and Modeling|August 9, 2016
Application of Free Energy Perturbation for the Design of BACE1 InhibitorsMyriam Ciordia, Laura Pérez-Benito, Francisca Delgado, et al.Advanced Theory and Simulations|September 16, 2021
Accuracy and Precision of Alchemical Relative Free Energy Predictions with and without Replica-ExchangeShunzhou Wan, Gary Tresadern, Laura Pérez-Benito, et al.Journal of Chemical Information and Modeling|February 28, 2019
Mechanisms Underlying Allosteric Molecular Switches of Metabotropic Glutamate Receptor 5Claudia Llinas Del Torrent, Nil Casajuana-Martin, Leonardo Pardo, et al.Journal of Chemical Theory and Computation|February 19, 2019
Predicting Activity Cliffs with Free-Energy PerturbationLaura Pérez-Benito, Nil Casajuana-Martin, Mireia Jiménez-Rosés, et al.Structure (London, England : 1993)|June 27, 2017
Molecular Switches of Allosteric Modulation of the Metabotropic Glutamate 2 ReceptorLaura Pérez-Benito, Maarten L J Doornbos, Arnau Cordomí, et al.ACS Chemical Neuroscience|September 15, 2018
Computationally Guided Identification of Allosteric Agonists of the Metabotropic Glutamate 7 ReceptorJose María Cid, Hilde Lavreysen, Gary Tresadern, et al.Chemical Science|March 20, 2020
DeltaDelta neural networks for lead optimization of small molecule potencyJosé Jiménez-Luna, Laura Pérez-Benito, Gerard Martínez-Rosell, et al.Pageof 3