[HTML][HTML] A suite of tutorials for the WESTPA rare-events sampling software [Article v1. 0]
The weighted ensemble (WE) strategy has been demonstrated to be highly efficient in
generating pathways and rate constants for rare events such as protein folding and protein …
generating pathways and rate constants for rare events such as protein folding and protein …
Accelerated estimation of long-timescale kinetics from weighted ensemble simulation via non-Markovian “microbin” analysis
The weighted ensemble (WE) simulation strategy provides unbiased sampling of
nonequilibrium processes, such as molecular folding or binding, but the extraction of rate …
nonequilibrium processes, such as molecular folding or binding, but the extraction of rate …
A minimal, adaptive binning scheme for weighted ensemble simulations
A promising approach for simulating rare events with rigorous kinetics is the weighted
ensemble path sampling strategy. One challenge of this strategy is the division of …
ensemble path sampling strategy. One challenge of this strategy is the division of …
Accelerated estimation of long-timescale kinetics by combining weighted ensemble simulation with Markov model “microstates” using non-Markovian theory
The weighted ensemble (WE) simulation strategy can provide unbiased sampling of non-
equilibrium processes, such as molecular folding or binding. Once converged to steady …
equilibrium processes, such as molecular folding or binding. Once converged to steady …