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20182025
most citedFree energy along drug-protein binding pathways interactively sampled in virtual reality

14 citations · 14 across the 2 of their papers we have counts for

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cond-mat.mtrl-sci2025

A scalable kinetic Monte Carlo platform enabling comprehensive simulations of charge transport dynamics in polymer-based memristive systems

Gerliz M. Gutiérrez-Finol, Kirill Zinovjev, Alejandro Gaita-Ariño +1

Polymer-assisted ion transport underpins both energy storage technologies and emerging neuromorphic computing devices. Efficient modeling of ion migration is essential for understa…