65 citations · 146 across the 20 of their papers we have counts for
3 papers · 1 filter
Simulation-based inference of single-molecule force spectroscopy
Lars Dingeldein, Pilar Cossio, Roberto Covino
Single-molecule force spectroscopy (smFS) is a powerful approach to studying molecular self-organization. However, the coupling of the molecule with the ever-present experimental d…
Information-theoretical measures identify accurate low-resolution representations of protein configurational space
Margherita Mele, Roberto Covino, Raffaello Potestio
A steadily growing computational power is employed to perform molecular dynamics simulations of biological macromolecules, which represents at the same time an immense opportunity…
Sampling Rare Conformational Transitions with a Quantum Computer
Danial Ghamari, Philipp Hauke, Roberto Covino +1
Spontaneous structural rearrangements play a central role in the organization and function of complex biomolecular systems. In principle, physics-based computer simulations like Mo…