most citedA High-Throughput Steered Molecular Dynamics Study on the Free Energy Profile of Ion Permeation through Gramicidin A

47 citations · 47 across the 1 of their papers we have counts for

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physics.chem-ph2023★ 47 cited

A High-Throughput Steered Molecular Dynamics Study on the Free Energy Profile of Ion Permeation through Gramicidin A

Toni Giorgino, Gianni De Fabritiis

Steered molecular dynamics (SMD) simulations for the calculation of free energies are well suited for high-throughput molecular simulations on a distributed infrastructure due to t…