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Publicaciones

2024

Classical Simulations on Quantum Computers: Interface-Driven Peptide Folding on Simulated Membrane Surfaces
D. Conde-Torres, M. Mussa-Juane, D. Faílde, A. Gómez, R. García-Fandiño, Á. Piñeiro

Supramolecular fibrillation in coacervates and other confined systems towards biomimetic function
A. Sanchez-Fernandez, I. Insua, J. Montenegro

Simulating Bacterial Membrane Models at the Atomistic Level: A Force Field Comparison
A. Blanco-González, A. Wurl, T. Mendes Ferreira, A. Piñeiro, R. Garcia-Fandino

Modulating protein unfolding and refolding via the synergistic association of an anionic and a nonionic surfactant
J. Hjalte, C. Diehl, A.E. Leung, J.-F. Poon, L. Porcar, R. Dalgliesh, H. Sjögren, M. Wahlgren, A. Sánchez-Fernández

Exo-chirality of the α-helix
J.M. Martínez-Parra, R. Gómez-Ojea, G.A. Daudey, M. Calvelo, H. Fernández-Caro, J. Montenegro, J. Bergueiro

Recognition of anion-water clusters by peptide-based supramolecular capsules
V. López-Corbalán, A. Fuertes, A.L. Llamas-Saiz, M. Amorín, J.R. Granja

Stabilization of Non-Native Folds and Programmable Protein Gelation in Compositionally Designed Deep Eutectic Solvents
A. Sanchez-Fernandez, J.-F. Poon, A.E. Leung, S.F. Prévost, C. Dicko

Size and Polarizability of Boron Cluster Carriers Modulate Chaotropic Membrane Transport
G. Salluce, Y. Folgar-Cameán, A. Barba-Bon, I. Nikšić-Franjić, S. El Anwar, B. Grüner, I. Lostale-Seijo, W. Nau, J. Montenegro

CYCLOPEp Builder: Facilitating Cyclic Peptide and Nanotube Research through a User-Friendly Web Platform
A. Cabezón, F. Suárez-Lestón, J.R. Granja, Á. Piñeiro, R. Garcia-Fandino

Unraveling the molecular dynamics of sugammadex-rocuronium complexation: A blueprint for cyclodextrin drug design
A. Anderson*, Á. Piñeiro, R. García-Fandiño, M.S. O'Connor