289 citations · 549 across the 10 of their papers we have counts for
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physics.data-an2014★ 79 cited
Statistically optimal analysis of state-discretized trajectory data from multiple thermodynamic states
Hao Wu, Antonia S. J. S. Mey, Edina Rosta +1
We propose a discrete transition-based reweighting analysis method (dTRAM) for analyzing configuration-space-discretized simulation trajectories produced at different thermodynamic…
physics.comp-ph2014★ 28 cited
xTRAM: Estimating equilibrium expectations from time-correlated simulation data at multiple thermodynamic states
Antonia S. J. S. Mey, Hao Wu, Frank Noé
Computing the equilibrium properties of complex systems, such as free energy differences, is often hampered by rare events in the dynamics. Enhanced sampling methods may be used in…