239 citations
- National Research CouncilLK11 papers
- University of MilanIT6 papers
- University of PisaIT4 papers
- Acellera (Spain)ES3 papers
- Institució Catalana de Recerca i Estudis AvançatsES3 papers
- Istituto Nazionale di Fisica Nucleare, Sezione di GenovaIT3 papers
- Universitat Pompeu FabraES3 papers
- University of North TexasUS3 papers
- Barcelona Biomedical Research ParkES2 papers
- Centre National de la Recherche ScientifiqueFR2 papers
- Consorzio Roma RicercheIT2 papers
- Freie Universität BerlinDE2 papers
24 papers
MDIntrinsicDimension: Dimensionality-Based Analysis of Collective Motions in Macromolecules from Molecular Dynamics Trajectories
Irene Cazzaniga, Toni Giorgino
Molecular dynamics (MD) simulations provide atomistic insights into the structure, dynamics, and function of biomolecules by generating time-resolved, high-dimensional trajectories…
Computations Meet Experiments to Advance the Enzymatic Depolymerization of Plastics One Atom at a Time
Francesco Colizzi, Paula Blázquez-Sánchez, Giovanni Bussi +39
Plastics are essential to modern life, yet poor disposal practices contribute to low recycling rates and environmental accumulation-biological degradation and by-product reuse offe…
Self-Organizing Maps of Unbiased Ligand-Target Binding Pathways and Kinetics
Lara Callea, Camilla Caprai, Laura Bonati +2
The interpretation of ligand-target interactions at atomistic resolution is central to most efforts in computational drug discovery and optimization. However, the highly dynamic na…
mdCATH: A Large-Scale MD Dataset for Data-Driven Computational Biophysics
Antonio Mirarchi, Toni Giorgino, Gianni De Fabritiis
Recent advancements in protein structure determination are revolutionizing our understanding of proteins. Still, a significant gap remains in the availability of comprehensive data…
Wind-induced Cross-Strait Sea Level Variability in the Strait of Gibraltar using Coastal Altimetry and In-Situ Measurements
J. Gomez-Enri, C. Gonzalez, M. Passaro +7
In this work, we retracked altimeter waveforms of ESA satellites. ERS2 RA and Envisat RA2 from descending track 0360 over the eastern side of the Strait of Gibraltar using the Adap…
Polymer translocation driven by longitudinal and transversal time-dependent end-pulling forces
Alejandro Sainz-Agost, Fernando Falo, Alessandro Fiasconaro
Polymer translocation has long been a topic of interest in the field of biological physics given its relevance in both biological (protein and DNA/RNA translocation through nuclear…