activity
20192021
most citedGROMACS Implementation of Free Energy Calculations with Non-Pairwise Variationally Derived Intermediates

15 citations · 24 across the 4 of their papers we have counts for

collaborators
Showing 2021Show all

1 paper · 1 filter

physics.comp-ph2021★ 2 cited

Small Sample Limit of the Bennett Acceptance Ratio Method and the Variationally Derived Intermediates

Martin Reinhardt, Helmut Grubmüller

Free energy calculations based on atomistic Hamiltonians provide microscopic insight into the thermodynamic driving forces of biophysical or condensed matter systems. Many approach…