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Pablo Herrera-Nieto
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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
232020
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
192020
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
82020
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
22023
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
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