10 citations · 15 across the 4 of their papers we have counts for
4 papers
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…
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…
Approximating First Hitting Point Distribution in Milestoning for Rare Event Kinetics
Ru Wang, Hao Wang, Wenjian Liu +1
Milestoning is an efficient method for rare event kinetics calculation using short trajectory parallelization. Mean first passage time (MFPT) is the key kinetic output of Milestoni…