Literature DB >> 22583221

Non-stationary forward flux sampling.

Nils B Becker1, Rosalind J Allen, Pieter Rein ten Wolde.   

Abstract

We present a method, Non-Stationary Forward Flux Sampling, that allows efficient simulation of rare events in both stationary and non-stationary stochastic systems. The method uses stochastic branching and pruning to achieve uniform sampling of trajectories in phase space and time, leading to accurate estimates for time-dependent switching propensities and time-dependent phase space probability densities. It is suitable for equilibrium or non-equilibrium systems, in or out of stationary state, including non-Markovian or externally driven systems. We demonstrate the validity of the technique by applying it to a one-dimensional barrier crossing problem that can be solved exactly, and show its usefulness by applying it to the time-dependent switching of a genetic toggle switch.

Mesh:

Year:  2012        PMID: 22583221     DOI: 10.1063/1.4704810

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  9 in total

1.  Perspective: Computer simulations of long time dynamics.

Authors:  Ron Elber
Journal:  J Chem Phys       Date:  2016-02-14       Impact factor: 3.488

2.  Efficient stochastic simulation of chemical kinetics networks using a weighted ensemble of trajectories.

Authors:  Rory M Donovan; Andrew J Sedgewick; James R Faeder; Daniel M Zuckerman
Journal:  J Chem Phys       Date:  2013-09-21       Impact factor: 3.488

3.  Using Markov state models to study self-assembly.

Authors:  Matthew R Perkett; Michael F Hagan
Journal:  J Chem Phys       Date:  2014-06-07       Impact factor: 3.488

Review 4.  Path-sampling strategies for simulating rare events in biomolecular systems.

Authors:  Lillian T Chong; Ali S Saglam; Daniel M Zuckerman
Journal:  Curr Opin Struct Biol       Date:  2016-12-13       Impact factor: 6.809

5.  Automatic error control during forward flux sampling of rare events in master equation models.

Authors:  Max C Klein; Elijah Roberts
Journal:  J Chem Phys       Date:  2020-01-21       Impact factor: 3.488

6.  Transition Manifolds of Complex Metastable Systems: Theory and Data-Driven Computation of Effective Dynamics.

Authors:  Andreas Bittracher; Péter Koltai; Stefan Klus; Ralf Banisch; Michael Dellnitz; Christof Schütte
Journal:  J Nonlinear Sci       Date:  2017-10-12       Impact factor: 3.621

Review 7.  Weighted Ensemble Simulation: Review of Methodology, Applications, and Software.

Authors:  Daniel M Zuckerman; Lillian T Chong
Journal:  Annu Rev Biophys       Date:  2017-03-01       Impact factor: 12.981

8.  Toggle switch: noise determines the winning gene.

Authors:  Joanna Jaruszewicz; Tomasz Lipniacki
Journal:  Phys Biol       Date:  2013-06-04       Impact factor: 2.583

9.  Flux sampling is a powerful tool to study metabolism under changing environmental conditions.

Authors:  Helena A Herrmann; Beth C Dyson; Lucy Vass; Giles N Johnson; Jean-Marc Schwartz
Journal:  NPJ Syst Biol Appl       Date:  2019-09-02
  9 in total

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