Machine learning of coarse-grained molecular dynamics force fields J Wang, S Olsson, C Wehmeyer, A Pérez, NE Charron, G De Fabritiis, ... ACS central science 5 (5), 755-767, 2019 | 355 | 2019 |
TorchMD: A deep learning framework for molecular simulations S Doerr, M Majewski, A Pérez, A Kramer, C Clementi, F Noe, T Giorgino, ... Journal of chemical theory and computation 17 (4), 2355-2363, 2021 | 107 | 2021 |
Coarse graining molecular dynamics with graph neural networks BE Husic, NE Charron, D Lemm, J Wang, A Pérez, M Majewski, A Krämer, ... The Journal of chemical physics 153 (19), 2020 | 107 | 2020 |
Simulations meet machine learning in structural biology A Pérez, G Martínez-Rosell, G De Fabritiis Current opinion in structural biology 49, 139-144, 2018 | 40 | 2018 |
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 | 20 | 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 | 14 | 2020 |
Assessment of short-term survival after liver transplant by the Model for End-Stage Liver Disease AL Buenadicha, LG Martı́n, EE Martı́n, AM Pérez, CC Seral, RB Marugán Transplantation proceedings 37 (9), 3881-3883, 2005 | 12 | 2005 |
Pan y Cereales E Martín, B De Mateo, A Miján, AM Pérez, P Redondo, I Sáenz Dirección General de Salud Pública y Alimentación. Madrid-España, 2007 | 9 | 2007 |
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 |
Machine learning coarse-grained potentials of protein thermodynamics M Majewski, A Pérez, P Thölke, S Doerr, NE Charron, T Giorgino, ... Nature Communications 14 (1), 5739, 2023 | 7 | 2023 |
The role of hydrophobic nodes in the dynamics of class A β-lactamases E Olehnovics, J Yin, A Pérez, G De Fabritiis, RA Bonomo, D Bhowmik, ... Frontiers in Microbiology 12, 720991, 2021 | 4 | 2021 |
Validation of the Alchemical Transfer Method for the Estimation of Relative Binding Affinities of Molecular Series F Sabanés Zariquiey, A Pérez, M Majewski, E Gallicchio, G De Fabritiis Journal of Chemical Information and Modeling 63 (8), 2438-2444, 2023 | 1 | 2023 |
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, 2023 | 1 | 2023 |
Manual de Urgencias Neurológicas M Aguilar, A Oviedo, V Boldova, A Pérez España: Talleres editoriales Cometa SA, 2013 | 1 | 2013 |
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 |
Clinical assessment of a new anesthetic system: the Temel Supra (II) J Roca, A Pérez, JM Mendieta, J Mateu, P Asensi, J Burruezo, MJ Rivera Revista Espanola de Anestesiologia y Reanimacion 51 (7), 361-366, 2004 | | 2004 |
Análisis clínico de un nuevo sistema de anestesia: Temel Supra®(II) JMM Sánchez, J Mateu, P Asensi, J Burruezo, MJ Rivera, J Roca, A Pérez Revista española de anestesiología y reanimación 51 (7), 361-366, 2004 | | 2004 |
Transplante intestinal del adulto. Situación actual y perspectivas de fututo CC Seral, FA Utrera, ADP Pajares, JP Corraliza, AH Checa, ... Revista española de anestesiología y reanimación 51 (9), 537-548, 2004 | | 2004 |