Pablo Herrera-Nieto

Characterization of partially ordered states in the intrinsically disordered N-terminal domain of p53 using millisecond molecular dynamics simulations

G. de Fabritiis, Pablo Herrera-Nieto, Adrià Pérez, 2020, Scientific Reports.

AdaptiveBandit: A multi-armed bandit framework for adaptive sampling in molecular simulations.

Gianni De Fabritiis, Stefan Doerr, Adrià Pérez, 2020, Journal of chemical theory and computation.

Small Molecule Modulation of Intrinsically Disordered Proteins Using Molecular Dynamics Simulations

Gianni De Fabritiis, Adrià Pérez, Pablo Herrera-Nieto, 2020, J. Chem. Inf. Model..

Binding-and-Folding Recognition of an Intrinsically Disordered Protein Using Online Learning Molecular Dynamics

G. D. Fabritiis, Pablo Herrera-Nieto, Adria P'erez, 2023, Journal of chemical theory and computation.