| Enzyme conformation influences the performance of lipase‐powered nanomotors L Wang, M Marciello, M Estévez‐Gay, PED Soto Rodriguez, ... Angewandte Chemie 132 (47), 21266-21273, 2020 | 81 | 2020 |
| Estimating conformational heterogeneity of tryptophan synthase with a template-based Alphafold2 approach G Casadevall, C Duran, M Estévez-Gay, S Osuna Protein Science 31 (10), e4426, 2022 | 19 | 2022 |
| Conformational landscapes of halohydrin dehalogenases and their accessible active site tunnels M Estévez-Gay, J Iglesias-Fernández, S Osuna Catalysts 10 (12), 1403, 2020 | 12 | 2020 |
| Insights into the molecular determinants of thermal stability in halohydrin dehalogenase HheD2 J Wessel, G Petrillo, M Estevez‐Gay, S Bosch, M Seeger, WP Dijkman, ... The FEBS Journal 288 (15), 4683-4701, 2021 | 10 | 2021 |
| SBMOpenMM: a builder of structure-based models for OpenMM M Floor, K Li, M Estévez-Gay, L Agulló, PM Muñoz-Torres, JK Hwang, ... Journal of Chemical Information and Modeling 61 (7), 3166-3171, 2021 | 6 | 2021 |
| Engineering of conserved sequence motif 1 residues in halohydrin dehalogenase HheC simultaneously enhances activity, stability and enantioselectivity S Staar, M Estévez-Gay, F Kaspar, S Osuna, A Schallmey | 1 | 2024 |
| A dynamic loop in halohydrin dehalogenase HheG regulates activity and enantioselectivity in epoxide ring opening M Staar, L Ahlborn, M Estévez-Gay, K Pallasch, S Osuna, A Schallmey ACS catalysis 14 (21), 15976-15987, 2024 | | 2024 |
| Computational exploration and design of HHDH variants with novel synthetically useful functionalities M Estévez-Gay Universitat de Girona, 2023 | | 2023 |
| Structure-Based Model (SBM) simulations for the folding process of the FoxP1 protein using the SBMOpenMM library J Villà-Freixa, L Agulló, M Estevez Gay | | 2021 |
