| Adaptive simulations, towards interactive protein-ligand modeling D Lecina, JF Gilabert, V Guallar Scientific reports 7 (1), 8466, 2017 | 74 | 2017 |
| Engineering of a fungal laccase to develop a robust, versatile and highly-expressed biocatalyst for sustainable chemistry F De Salas, P Aza, JF Gilabert, G Santiago, S Kilic, ME Sener, J Vind, ... Green chemistry 21 (19), 5374-5385, 2019 | 39 | 2019 |
| Individual-based modeling of tuberculosis in a user-friendly interface: understanding the epidemiological role of population heterogeneity in a city C Prats, C Montañola-Sales, JF Gilabert-Navarro, J Valls, ... Frontiers in microbiology 6, 169695, 2016 | 26 | 2016 |
| Monte Carlo techniques for drug design: The success case of PELE JF Gilabert, D Lecina, J Estrada, V Guallar Biomolecular Simulations in Structure-Based Drug Discovery, 87-103, 2018 | 22 | 2018 |
| Modeling tuberculosis in Barcelona. A solution to speed-up agent-based simulations C Montañola-Sales, JF Gilabert-Navarro, J Casanovas-Garcia, C Prats, ... 2015 Winter Simulation Conference (WSC), 1295-1306, 2015 | 20 | 2015 |
| Structural basis for substrate specificity of heteromeric transporters of neutral amino acids CF Rodriguez, P Escudero-Bravo, L Díaz, P Bartoccioni, C García-Martín, ... Proceedings of the National Academy of Sciences 118 (49), e2113573118, 2021 | 19 | 2021 |
| PELE-MSM: A monte carlo based protocol for the estimation of absolute binding free energies JF Gilabert, C Grebner, D Soler, D Lecina, M Municoy, O Gracia Carmona, ... Journal of chemical theory and computation 15 (11), 6243-6253, 2019 | 15 | 2019 |
| Combining Monte Carlo and molecular dynamics simulations for enhanced binding free energy estimation through Markov state models JF Gilabert, O Gracia Carmona, A Hogner, V Guallar Journal of Chemical Information and Modeling 60 (11), 5529-5539, 2020 | 8 | 2020 |
| Mutations suppressing the lack of prepilin peptidase provide insights into the maturation of the major pilin protein in cyanobacteria M Linhartová, P Skotnicová, K Hakkila, M Tichý, J Komenda, J Knoppová, ... Frontiers in Microbiology 12, 756912, 2021 | 3 | 2021 |
| Estimation of binding free energies with Monte Carlo atomistic simulations and enhanced sampling JF Gilabert Navarro Universitat Politècnica de Catalunya, 2020 | | 2020 |
| Development of a simulator to evaluate public health control strategies of tuberculosis in big cities JF Gilabert Navarro Universitat Politècnica de Catalunya, 2015 | | 2015 |
