Francesc Sabanés Zariquiey

Enhancing Protein–Ligand Binding Affinity Predictions Using Neural Network Potentials

Francesc Sabanés Zariquiey, Raimondas Galvelis, Emilio Gallicchio et al. · Journal of Chemical Information and Modeling · 2024 · 51 citations · Full text

Natural Sciences, Biophysics, Chemistry +17

Cosolvent Analysis Toolkit (CAT): a robust hotspot identification platform for cosolvent simulations of proteins to expand the druggable proteome

Francesc Sabanés Zariquiey, João Vicente Braga de Souza, Agnieszka K. Bronowska · Scientific Reports · 2019 · 36 citations · Full text

Pharmacy, Bioinformatics, Biophysics +17

Validation of the Alchemical Transfer Method for the Estimation of Relative Binding Affinities of Molecular Series

Francesc Sabanés Zariquiey, Adrià Pérez, Maciej Majewski et al. · Journal of Chemical Information and Modeling · 2023 · 15 citations · Full text

Pharmacy, Chemistry, Medicinal Chemistry +17

Divide and Conquer. Pocket-Opening Mixed-Solvent Simulations in the Perspective of Docking Virtual Screening Applications for Drug Discovery

Francesc Sabanés Zariquiey, Edgar Jacoby, Ann Vos et al. · Journal of Chemical Information and Modeling · 2022 · 13 citations · Full text

Pharmacy, Biophysics, Medicinal Chemistry +17

If You Cannot Win Them, Join Them: Understanding New Ways to Target STAT3 by Small Molecules

Francesc Sabanés Zariquiey, João V. da Souza, Roger Estrada‐Tejedor et al. · ACS Omega · 2019 · 12 citations · Full text

Medicine, Biochemistry, Oncology +9