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Modelling UV-induced damage: from Micro-C XL to conformational ensembles PF Migens, JG Alvarez-Meythaler, JP Arcon, I Brun-Heath, M Orozco FEBS OPEN BIO 16, 2026
When lipids embrace RNA: pH-driven dynamics and mechanisms of LNP-mediated siRNA delivery KA Hossain, M Valério, P Medina, PCT Souza, M Orozco bioRxiv, 2026.02. 11.705380, 2026
H4K16 acylations destabilize chromatin architecture and facilitate transcriptional response during metabolic perturbations S Nitsch, AE Coraor, T Schauer, Y Wu, J Sun, N Möritz, J Funke, H Nagpal, ... Molecular cell 86 (1), 24-40. e10, 2026
When the Position of Pendant Groups Makes the Difference in G‑Quadruplex Behavior: The Case of Bis-Conjugated Thrombin-Binding Aptamers C Platella, F Battistini, C Riccardi, M Smietana, F Morvan, M Orozco, ... Journal of Chemical Information and Modeling 66 (1), 642, 2025
Dually decorated palmitate-containing lipid nanoparticles for the targeted delivery of siRNAs against HER2 and Hsp27 in HER2+ breast cancer P Medina, M Orozco, M Terrazas Journal of Medicinal Chemistry 68 (23), 25213, 2025
Near-atomistic simulations reveal the molecular principles that control chromatin structure and phase separation K Russell, Y Chen, JR Espinosa, DF Gil, H Zhou, MJ Maristany, ... bioRxiv, 2025
Success and limitations of current force fields for the description of RNA–ligand complexes PF Migens, I Serrano-Chacón, M Orozco, F Battistini The Journal of Physical Chemistry B 129 (45), 11679-11692, 2025
Molecular simulations meet personalized medicine: The mechanism of action of CLC-5 antiporter and the origin of Dent's disease V Macaluso, C Pérez, R Soliva, Y Westermaier, L Díaz, M Wieczór, ... PNAS nexus 4 (11), pgaf353, 2025
CGeNArateWeb: a web server for the atomistic study of the structure and dynamics of chromatin fibers D Farré-Gil, G Bayarri, CA Laughton, A Hospital, M Orozco Nucleic acids research 53 (W1), W151-W157, 2025
Development of machine learning force fields for accurate molecular dynamics simulations of nucleic acids S Deb, M Wieczor, M Orozco FEBS OPEN BIO 15, 53-53, 2025
Reply to “Comment on ‘Main role of fractal-like nature of conformational space in subdiffusion in proteins'” L Maggi, M Orozco Physical Review E 111 (5), 056402, 2025
Gromologist: A GROMACS-oriented utility library for structure and topology manipulation M Wieczór, J Czub, M Orozco SoftwareX 30, 102118, 2025
Naphthalene diimide-naphthalimide dyads promote telomere damage by selectively targeting multimeric G-quadruplexes V Pirota, S Iachettini, C Platella, P Zizza, G Fracchioni, S Di Vito, ... Nucleic Acids Research 53 (7), gkaf301, 2025
The need to implement FAIR principles in biomolecular simulations RE Amaro, J Åqvist, I Bahar, F Battistini, A Bellaiche, D Beltran, PC Biggin, ... Nature methods 22 (4), 641-645, 2025
Systematic study of hybrid triplex topology and stability suggests a general triplex-mediated regulatory mechanism V Genna, G Portella, A Sala, M Terrazas, I Serrano-Chacón, J González, ... Nucleic acids research 53 (5), gkaf170, 2025
Flexibility in PAM recognition expands DNA targeting in xCas9 KA Hossain, L Nierzwicki, M Orozco, J Czub, G Palermo Elife 13, RP102538, 2025
The conserved lysine residue in transmembrane helix 5 is key for the cytoplasmic gating of the L-amino acid transporters J Fort i Baixeras, A Nicolas Arago, L Maggi, M Martinez Molledo, D Kapiki, ... Pnas Nexus, 2025, vol. 4, num. 1, 2025
The conserved lysine residue in transmembrane helix 5 is pivotal for the cytoplasmic gating of the L-amino acid transporters J Fort, A Nicolàs-Aragó, L Maggi, M Martinez-Molledo, D Kapiki, ... PNAS nexus 4 (1), pgae584, 2025
SETD8 inhibition targets cancer cells with increased rates of ribosome biogenesis M Murga, G Lopez-Pernas, R Soliva, E Fueyo-Marcos, C Amor, I Faustino, ... Cell Death & Disease 15 (9), 694, 2024
An integrated machine-learning model to predict nucleosome architecture A Sala, M Labrador, D Buitrago, P De Jorge, F Battistini, IB Heath, ... Nucleic Acids Research 52 (17), 10132-10143, 2024
RNA dynamics from experimental and computational approaches G Bussi, M Bonomi, P Gkeka, M Sattler, HM Al-Hashimi, P Auffinger, ... Structure 32 (9), 1281-1287, 2024
Nucleic acids in modern molecular therapies: A realm of opportunities for strategic drug design V Genna, L Reyes-Fraile, J Iglesias-Fernandez, M Orozco Current Opinion in Structural Biology 87, 102838, 2024
Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange ML Evans, J Bergsma, A Merkys, CW Andersen, OB Andersson, D Beltrán, ... Digital Discovery 3 (8), 1509-1533, 2024
Formation of left-handed helices by C2′-fluorinated nucleic acids under physiological salt conditions R El-Khoury, C Cabrero, S Movilla, H Kaur, D Friedland, A Domínguez, ... Nucleic acids research 52 (13), 7414-7428, 2024
CGeNArate: a sequence-dependent coarse-grained model of DNA for accurate atomistic MD simulations of kb-long duplexes D Farré-Gil, JP Arcon, CA Laughton, M Orozco Nucleic Acids Research 52 (12), 6791-6801, 2024
Molecular stripping underpins derepression of a toxin–antitoxin system GJ Grabe, RT Giorgio, M Wieczór, B Gollan, M Sargen, M Orozco, ... Nature structural & molecular biology 31 (7), 1050-1060, 2024
Using interactive Jupyter Notebooks and BioConda for FAIR and reproducible biomolecular simulation workflows G Bayarri, P Andrio, JL Gelpí, A Hospital, M Orozco PLoS computational biology 20 (6), e1012173, 2024
Formation of left-handed helices by C2′-fluorinated nucleic acids under physiological salt conditions Q Perdices Seguí, R El-Khoury, C Cabrero, S Movilla Núñez, H Kaur, ... Oxford University Press, 2024
Multiscale simulations of DNA from electrons to nucleosomes JH Maddocks, PD Dans, TH Cheatham III, S Harris, C Laughton, ... Biophysical Reviews 16 (3), 259-262, 2024
