12 citations · 13 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2024★ 12 cited
MiMiC: A High-Performance Framework for Multiscale Molecular Dynamics Simulations
Andrej Antalík, Andrea Levy, Sonata Kvedaravičiūtė +13
MiMiC is a framework for performing multiscale simulations in which loosely coupled external programs describe individual subsystems at different resolutions and levels of theory.…
physics.comp-ph2023★ 1 cited
Effective Data-Driven Collective Variables for Free Energy Calculations from Metadynamics of Paths
Lukas Müllender, Andrea Rizzi, Michele Parrinello +2
A variety of enhanced sampling methods predict multidimensional free energy landscapes associated with biological and other molecular processes as a function of a few selected coll…