226 citations · 695 across the 31 of their papers we have counts for
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cond-mat.stat-mech2019★ 43 cited
Open-Boundary Hamiltonian adaptive resolution. From grand canonical to non-equilibrium molecular dynamics simulations
Maziar Heidari, Kurt Kremer, Ramin Golestanian +2
We propose an open-boundary molecular dynamics method in which an atomistic system is in contact with an infinite particle reservoir at constant temperature, volume and chemical po…
cond-mat.soft2019
A deep learning approach to the structural analysis of proteins
Marco Giulini, Raffaello Potestio
Deep Learning (DL) algorithms hold great promise for applications in the field of computational biophysics. In fact, the vast amount of available molecular structures, as well as t…