4 citations · 5 across the 4 of their papers we have counts for
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Fast and accurate committor estimation for kinetics simulations
Ru Wang, Xiaojun Ji, Hao Wang +1
Computing long-timescale kinetics of biomolecular processes remains a major challenge for atomistic simulations. A way out is to exploit local kinetic information to construct the…
Milestoning network refinement by incorporating experimental thermodynamic and kinetic data
Xiaojun Ji, Hao Wang, Wenjian Liu
Milestoning is an accurate and efficient method for rare event kinetics calculations by constructing a continuous-time kinetic network connecting the reactant and product states. H…
Kinetic network in Milestoning: Clustering, reduction, and transition path analysis
Ru Wang, Xiaojun Ji, Hao Wang +1
We present a reduction of Milestoning (ReM) algorithm to analyze the high-dimensional Milestoning kinetic network. The algorithm reduces the Milestoning network to low dimensions b…
On Committor Functions in Milestoning
Xiaojun Ji, Ru Wang, Hao Wang +1
As an optimal one-dimensional reaction coordinate, the committor function not only describes the probability of a trajectory initiated at a phase space point first reaching the pro…