Laura Perez Benito (Laura Pérez-Benito, Laura Perez-Benito)

Publication Activity (10 Years)

Years Active: 2019-2022
Publications (10 Years): 9

Top Topics

Molecular Dynamics Simulations

Machine Learning

Top Venues

Chemical science

Journal of chemical information and modeling

Advanced theory and simulations

Chemistry (Weinheim an der Bergstrasse, Germany)

This page only lists publications with an associated author ORCID identifier.

Publications

David F Hahn, Christopher I Bayly, Hannah E Bruce Macdonald, John D Chodera, Antonia S J S Mey, David L Mobley, Laura Perez Benito, Christina E M Schindler, Gary John Tresadern, Gregory L Warren
Best practices for constructing, preparing, and evaluating protein-ligand binding affinity benchmarks [Article v0.1]. Living journal of computational molecular science 4 (1) (2022)
Paula Morales, Gemma Navarro, Marc Gómez-Autet, Laura Redondo, Javier Fernández-Ruiz, Laura Perez Benito, Arnau Cordomi, Leonardo Pardo, Rafael Franco, Nadine Jagerovic
Discovery of Homobivalent Bitopic Ligands of the Cannabinoid CB2 Receptor*. Chemistry (Weinheim an der Bergstrasse, Germany) 26 (68) (2020)
Lucía Díaz, Daniel Soler, Gary John Tresadern, Christophe Buyck, Laura Perez Benito, Suwipa Saen-Oon, Victor Guallar, Robert Soliva
Monte Carlo simulations using PELE to identify a protein-protein inhibitor binding site and pose. RSC advances 10 (12) (2020)
Francesca Deflorian, Laura Perez Benito, Eelke B Lenselink, Miles Congreve, Herman W T van Vlijmen, Jonathan S Mason, Chris de Graaf, Gary John Tresadern
Accurate Prediction of GPCR Ligand Binding Affinity with Free Energy Perturbation. Journal of chemical information and modeling 60 (11) (2020)
Vytautas Gapsys, Laura Perez Benito, Matteo Aldeghi, Daniel Seeliger, Herman W T van Vlijmen, Gary John Tresadern, Bert L de Groot
Large scale relative protein ligand binding affinities using non-equilibrium alchemy. Chemical science 11 (4) (2019)
Claudia Llinas Del Torrent, Nil Casajuana-Martin, Leonardo Pardo, Gary John Tresadern, Laura Perez Benito
Mechanisms Underlying Allosteric Molecular Switches of Metabotropic Glutamate Receptor 5. Journal of chemical information and modeling 59 (5) (2019)
Shunzhou Wan, Gary John Tresadern, Laura Perez Benito, Herman W T van Vlijmen, Peter V Coveney
Accuracy and Precision of Alchemical Relative Free Energy Predictions with and without Replica-Exchange. Advanced theory and simulations 3 (1) (2019)
Laura Perez Benito, Nil Casajuana-Martin, Mireia Jiménez-Rosés, Herman W T van Vlijmen, Gary John Tresadern
Predicting Activity Cliffs with Free-Energy Perturbation. Journal of chemical theory and computation 15 (3) (2019)
José Jiménez-Luna, Laura Perez Benito, Gerard Martínez-Rosell, Simone Sciabola, Rubben Torella, Gary John Tresadern, Gianni De Fabritiis
DeltaDelta neural networks for lead optimization of small molecule potency. Chemical science 10 (47) (2019)