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Stochastic reaction networks that exhibit bistability are common in many fields such as systems biology and materials science. Sampling of the stationary distribution is crucial for understanding and characterizing the long term dynamics of…

Numerical Analysis · Mathematics 2018-01-17 Ting Wang , Petr Plecháč

We propose a stochastic model for gene transcription coupled to DNA supercoiling, where we incorporate the experimental observation that polymerases create supercoiling as they unwind the DNA helix, and that these enzymes bind more…

Biological Physics · Physics 2018-04-16 C. A. Brackley , J. Johnson , A. Bentivoglio , S. Corless , N. Gilbert , G. Gonnella , D. Marenduzzo

To survive environmental conditions, cells transcribe their response activities into encoded mRNA sequences in order to produce certain amounts of protein concentrations. The external conditions are mapped into the cell through the…

Biological Physics · Physics 2017-10-26 Andrés F. López-Lopera , Mauricio A. Álvarez

We present a method for enhanced sampling of molecular dynamics simulations using stochastic resetting. Various phenomena, ranging from crystal nucleation to protein folding, occur on timescales that are unreachable in standard simulations.…

Chemical Physics · Physics 2023-02-09 Ofir Blumer , Shlomi Reuveni , Barak Hirshberg

Rare events in molecular dynamics are often related to noise-induced transitions between different macroscopic states (e.g., in protein folding). A common feature of these rare transitions is that they happen on timescales that are on…

Probability · Mathematics 2026-01-06 Carsten Hartmann , Annika Jöster , Christof Schütte , Alexander Sikorski , Marcus Weber

We develop an approach to realize a quantum switch for Rydberg excitation in atoms with $Y$-typed level configuration. We find that the steady population on two different Rydberg states can be reversibly exchanged in a controllable way by…

Atomic Physics · Physics 2017-09-14 Jing Qian

Reaction networks are widely used models to describe biochemical processes. Stochastic fluctuations in the counts of biological macromolecules have amplified consequences due to their small population sizes. This makes it necessary to favor…

Probability · Mathematics 2022-02-28 Daniele Cappelletti , Badal Joshi

We study a system of dynamical units, each of which shows excitable or oscillatory behavior, depending on the choice of parameters. When we couple these units with repressive bonds, we can control the duration of collective oscillations for…

Molecular Networks · Quantitative Biology 2014-02-06 Darka Labavic , Hildegard Meyer-Ortmanns

The chemical master equation (CME), which describes the discrete and stochastic molecule number dynamics associated with biological processes like transcription, is difficult to solve analytically. It is particularly hard to solve for…

Subcellular Processes · Quantitative Biology 2021-03-23 John J. Vastola , Gennady Gorin , Lior Pachter , William R. Holmes

We explore the distribution of paths followed in fluctuation-induced switching between coexisting stable states. We introduce a quantitative characteristic of the path distribution in phase space that does not require a priori knowledge of…

Statistical Mechanics · Physics 2009-11-13 H. B. Chan , M. I. Dykman , C. Stambaugh

We consider a model for substrate-depletion oscillations in genetic systems, based on a stochastic differential equation with a slowly evolving external signal. We show the existence of critical transitions in the system. We apply two…

Chaotic Dynamics · Physics 2014-03-13 Jesse Berwald , Marian Gidea

Computing reaction rates in biomolecular systems is a common goal of molecular dynamics simulations. The reactions considered often involve conformational changes in the molecule, either changes in the structure of a protein or the relative…

Dynamical Systems · Mathematics 2013-07-03 Eric Darve , Ernest Ryu

Oscillations lie at the core of many biological processes, from the cell cycle, to circadian oscillations and developmental processes. Time-keeping mechanisms are essential to enable organisms to adapt to varying conditions in environmental…

Machine Learning · Statistics 2015-04-27 D Trejo , AJ Millar , G Sanguinetti

We derive a novel efficient scheme to measure the rate constant of transitions between stable states separated by high free energy barriers in a complex environment within the framework of transition path sampling. The method is based on…

Statistical Mechanics · Physics 2009-11-07 Titus S. van Erp , Daniele Moroni , Peter G. Bolhuis

DNA inversion is an important mechanism by which bacteria and bacteriophage switch reversibly between phenotypic states. In such switches, the orientation of a short DNA element is flipped by a site-specific recombinase enzyme. We propose a…

Molecular Networks · Quantitative Biology 2008-09-12 Paolo Visco , Rosalind J. Allen , Martin R. Evans

We consider a model of large regulatory gene expression networks where the thresholds activating the sigmoidal interactions between genes and the signs of these interactions are shuffled randomly. Such an approach allows for a qualitative…

Molecular Networks · Quantitative Biology 2007-05-23 D. Volchenkov , R. Lima

Switching interacting particle systems studied in probability theory are the stochastic processes of hopping particles on a lattice made up of slow and fast particles, where the switching between these types of particles occurs randomly at…

Statistical Mechanics · Physics 2024-05-14 Ayana Ezoe , Saori Morimoto , Yuya Tanaka , Makoto Katori , Hiraku Nishimori

Delays and stochasticity have both served as crucially valuable ingredients in mathematical descriptions of control, physical, and biological systems. In this work, we investigate how explicitly dynamical stochasticity in delays modulates…

Molecular Networks · Quantitative Biology 2023-07-10 Bhargav R. Karamched , Christopher E. Miles

Physical systems with many degrees of freedom can often be understood in terms of transitions between a small number of metastable states. For time-homogeneous systems with short-term memory these transitions are fully characterized by a…

Molecular Networks · Quantitative Biology 2015-06-03 Nils B. Becker , Pieter Rein ten Wolde

Auto-regulatory feedback loops are one of the most common network motifs. A wide variety of stochastic models have been constructed to understand how the fluctuations in protein numbers in these loops are influenced by the kinetic…

Subcellular Processes · Quantitative Biology 2020-04-22 James Holehouse , Zhixing Cao , Ramon Grima