2 citations · 2 across the 1 of their papers we have counts for
3 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…
PLUMED Tutorials: a collaborative, community-driven learning ecosystem
Gareth A. Tribello, Massimiliano Bonomi, Giovanni Bussi +60
In computational physics, chemistry, and biology, the implementation of new techniques in a shared and open source software lowers barriers to entry and promotes rapid scientific p…