| Cosolvent Analysis Toolkit (CAT): A robust hotspot identification platform for cosolvent simulations of proteins to expand the druggable proteome F Sabanés Zariquiey, JV de Souza, AK Bronowska Scientific reports 9 (1), 19118, 2019 | 25 | 2019 |
| If you cannot win them, join them: understanding new ways to target STAT3 by small molecules F Sabanés Zariquiey, JV Da Souza, R Estrada-Tejedor, AK Bronowska ACS omega 4 (9), 13913-13921, 2019 | 13 | 2019 |
| Validation of the Alchemical Transfer Method for the Estimation of Relative Binding Affinities of Molecular Series F Sabanés Zariquiey, A Pérez, M Majewski, E Gallicchio, G De Fabritiis Journal of chemical information and modeling 63 (8), 2438-2444, 2023 | 7 | 2023 |
| Enhancing Protein–Ligand Binding Affinity Predictions Using Neural Network Potentials F Sabanés Zariquiey, R Galvelis, E Gallicchio, JD Chodera, TE Markland, ... Journal of Chemical Information and Modeling, 2024 | 5 | 2024 |
| Cosolvent and dynamic effects in binding pocket search by docking simulations PB Szabó, F Sabanés Zariquiey, JJ Nogueira Journal of Chemical Information and Modeling 61 (11), 5508-5523, 2021 | 5 | 2021 |
| Development of charge-augmented three-point water model (CAIPi3P) for accurate simulations of intrinsically disordered proteins JV de Souza, FS Zariquiey, AK Bronowska International Journal of Molecular Sciences 21 (17), 6166, 2020 | 5 | 2020 |
| Divide and conquer. Pocket-opening mixed-solvent simulations in the perspective of docking virtual screening applications for drug discovery F Sabanés Zariquiey, E Jacoby, A Vos, HWT van Vlijmen, G Tresadern, ... Journal of Chemical Information and Modeling 62 (3), 533-543, 2022 | 3 | 2022 |
| Cosolvent and Dynamic Effects in Binding Pocket Search by Docking Simulations (preprint) PB Szabó, FS Zariquiey, JJ Nogueira | | 2021 |
| In silico identification and assessment of novel allosteric protein binding sites to expand the “druggable” human proteome F Sabanés Zariquiey Newcastle University, 2020 | | 2020 |
| Development of a novel water model for molecular dynamics for IDPs: Presenting the CAIPi3P model JVS Cunha, F Zariquiey, A Bronowska ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019 | | 2019 |
| Development of suitable computational methods for intrinsically disordered proteins (IDPs) as medicinal chemistry targets JV Cunha, F Zariquiey, AK Bronowska FEBS OPEN BIO 8, 449-449, 2018 | | 2018 |
João Victor De SouzaRxCelerateVerified email at rxcelerate.com
