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Machine-learning models in chemistry - when based on descriptors of atoms embedded within molecules - face essential challenges in transferring the quality of predictions of local electronic structures and their associated properties across…

化学物理 · 物理学 2024-09-27 Frederik Ø. Kjeldal , Janus J. Eriksen

In a single molecule assay, the motion of a molecular motor is often inferred from measuring the stochastic trajectory of a large probe particle attached to it. We discuss a simple model for this generic set-up taking into account…

统计力学 · 物理学 2012-11-22 Eva Zimmermann , Udo Seifert

Many complex engineering systems consist of multiple subsystems that are developed by different teams of engineers. To analyse, simulate and control such complex systems, accurate yet computationally efficient models are required. Modular…

系统与控制 · 电气工程与系统科学 2023-01-02 Lars A. L. Janssen , Bart Besselink , Rob H. B. Fey , Nathan van de Wouw

Molecular motors convert chemical energy into mechanical work while operating in an environment dominated by Brownian motion. The aim of this paper is to explore the flow of energy between the molecular motors and its surroundings, in…

统计力学 · 物理学 2011-05-06 Yunxin Zhang

A simple model of the two-state ratchet type is proposed for molecular chemical engines that convert chemical free energy into mechanical work and vice versa. The engine works by catalyzing a chemical reaction and turning a rotor.…

统计力学 · 物理学 2018-05-22 Kazuo Sasaki , Ryo Kanada , Satoshi Amari

Molecular machines are stochastic systems that catalyze the energetic processes keeping living cells alive and structured. Inspired by the examples of F1-ATP synthase and the bacterial flagellum, we present a minimal model of an externally…

统计力学 · 物理学 2020-03-18 Alexandra K. S. Kasper , David A. Sivak

Biological molecular machines are proteins that operate under isothermal conditions hence are referred to as free energy transducers. They can be formally considered as enzymes that simultaneously catalyze two chemical reactions: the free…

生物物理 · 物理学 2014-02-05 Michal Kurzynski , Mieczyslaw Torchala , Przemyslaw Chelminiak

When a system is in equilibrium, external perturbations yield a time series of non-equilibrium distributions, and recent experimental techniques give access to the non-equilibrium data that may contain critical information. Jinwoo and…

统计力学 · 物理学 2023-01-16 Lee Jinwoo

Optimizing embedded systems, where the optimization of one depends on the state of another, is a formidable computational and algorithmic challenge, that is ubiquitous in real world systems. We study flow networks, where bilevel…

最优化与控制 · 数学 2022-11-09 Bo Li , David Saad , Chi Ho Yeung

Microscopic machines utilize free energy to create and maintain out-of-equilibrium organization in virtually all living things. Often this takes the form of converting the free energy stored in nonequilibrium chemical potential differences…

统计力学 · 物理学 2019-08-23 Steven J. Large , David A. Sivak

Chemical gradients provide the primordial energy for biological functions by driving the mechanical movement of microscopic engines. Their thermodynamic properties remain elusive, especially concerning the dynamic change in energy demand in…

统计力学 · 物理学 2025-04-01 Ruo-Xun Zhai , Hui Dong

We discuss a theoretical model for bidirectional cargo transport in biological cells, which is driven by teams of molecular motors and subject to thermal fluctuations. The model describes explicitly the directed motion of the molecular…

生物物理 · 物理学 2017-09-20 Sarah Klein , Cécile Appert-Rolland , Ludger Santen

Stochastic fluctuations of molecular abundances are a ubiquitous feature of cellular processes and lead to significant cell-to-cell variability. Recent theoretical work established lower bounds for stochastic fluctuations in cells for broad…

分子网络 · 定量生物学 2025-05-06 Brayden Kell , Andreas Hilfinger

Analytical formulas for effective drift, diffusivity, run times, and run lengths are derived for an intracellular transport system consisting of a cargo attached to two cooperative but not identical molecular motors (for example, kinesin-1…

亚细胞过程 · 定量生物学 2021-01-22 Joseph J. Klobusicky , John Fricks , Peter R. Kramer

Signal transduction, or signal-processing capability, is a fundamental property of nature that manifests universally across systems of different scales -- from quantum behaviour to the biological. This includes the detection of…

信号处理 · 电气工程与系统科学 2023-09-12 Dorje C. Brody , Anthony J. Trewavas

Heat dissipation is ubiquitous in living systems, which constantly convert distinct forms of energy into each other. The transport of thermal energy in liquids and even within proteins is well understood but kinetic energy transfer across a…

软凝聚态物质 · 物理学 2026-01-07 Brandon Neff , Matthias Heyden

We study the impact of entangling measurements on the efficiency of quantum measurement- based engines. We first show that for engines comprising many subsystems their efficiency can be enhanced by performing entangling measurements, as…

量子物理 · 物理学 2026-01-21 Franco Mayo , Augusto J. Roncaglia

Particles moving in oscillating potential with broken mirror symmetry are considered. We calculate their energetic efficiency, when acting as molecular motors carrying a load against external force. It is shown that interaction between…

统计力学 · 物理学 2010-09-03 Frantisek Slanina

Transport of intracellular cargo is often mediated by teams of molecular motors that function in a chaotic environment under varying conditions. We show that the motors have unique steady state behavior which enables transport modalities…

亚细胞过程 · 定量生物学 2023-09-19 Shreyas Bhaban , Rachit Srivastava , James Melbourne , Saurav Talukdar , Murti V. Salapaka

We study coupled quantum systems as the working media of thermodynamic machines. Under a suitable phase-space transformation, the coupled systems can be expressed as a composition of independent subsystems. We find that for the coupled…

量子物理 · 物理学 2017-09-12 George Thomas , Manik Banik , Sibasish Ghosh