| Fragment dissolved molecular dynamics: a systematic and efficient method to locate binding sites C Privat, JM Granadino-Roldán, J Bonet, MS Tomas, JJ Perez, ... Physical Chemistry Chemical Physics 23 (4), 3123-3134, 2021 | 11 | 2021 |
| On the Use of the Discrete Constant pH Molecular Dynamics to Describe the Conformational Space of Peptides C Privat, S Madurga, F Mas, J Rubio-Martínez Polymers 13 (1), 99, 2020 | 3 | 2020 |
| Multigram scale synthesis of polycyclic lactones and evaluation of antitumor and other biological properties L Grau, M Romero, C Privat-Contreras, D Presa, M Viñas, J Morral, K Pors, ... European Journal of Medicinal Chemistry 185, 111807, 2020 | 2 | 2020 |
| Molecular dynamics simulations of an α-synuclein NAC domain fragment with a ff14IDPSFF IDP-specific force field suggest β-sheet intermediate states of fibrillation C Privat, S Madurga, F Mas, J Rubio-Martinez Physical Chemistry Chemical Physics 24 (31), 18841-18853, 2022 | 1 | 2022 |
| Unravelling Constant pH Molecular Dynamics in Oligopeptides with Explicit Solvation Model C Privat, S Madurga, F Mas, J Rubio-Martinez Polymers 13 (19), 3311, 2021 | | 2021 |
