1.1k citations · 5.5k across the 44 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.chem-ph2014★ 30 cited
Efficient estimation of rare-event kinetics
Benjamin Trendelkamp-Schroer, Frank Noe
The efficient calculation of rare-event kinetics in complex dynamical systems, such as the rate and pathways of ligand dissociation from a protein, is a generally unsolved problem.…