AdaptiveBandit: a multi-armed bandit framework for adaptive sampling in molecular simulations A Pérez, P Herrera-Nieto, S Doerr, G De Fabritiis Journal of chemical theory and computation 16 (7), 4685-4693, 2020 | 23 | 2020 |
Characterization of partially ordered states in the intrinsically disordered N-terminal domain of p53 using millisecond molecular dynamics simulations P Herrera-Nieto, A Pérez, G De Fabritiis Scientific reports 10 (1), 12402, 2020 | 19 | 2020 |
Small molecule modulation of intrinsically disordered proteins using molecular dynamics simulations P Herrera-Nieto, A Pérez, G De Fabritiis Journal of Chemical Information and Modeling 60 (10), 5003-5010, 2020 | 8 | 2020 |
Binding-and-folding recognition of an intrinsically disordered protein using online learning molecular dynamics P Herrera-Nieto, A Pérez, G De Fabritiis Journal of Chemical Theory and Computation 19 (13), 3817-3824, 2023 | 2 | 2023 |
A Study of intrinsically disordered proteins using molecular dynamics simulations P Herrera Nieto Universitat Pompeu Fabra, 2020 | | 2020 |
Author Correction: Characterization of partially ordered states in the intrinsically disordered N-terminal domain of p53 using millisecond molecular dynamics simulations P Herrera-Nieto, A Pérez, G De Fabritiis Scientific Reports 10, 2020 | | 2020 |
Biased signalling and heteromization of the Dopamine D2 receptor in Schizophrenia and Parkinson's disease PH Nieto, J Dalton, J Giraldo Protein Science 24 (S1), 2015 | | 2015 |