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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…

Biological Physics · Physics 2014-02-05 Michal Kurzynski , Mieczyslaw Torchala , Przemyslaw Chelminiak

The large-scale properties of chemical reaction systems, such as the metabolism, can be studied with graph-based methods. To do this, one needs to reduce the information -- lists of chemical reactions -- available in databases. Even for the…

Molecular Networks · Quantitative Biology 2009-09-25 Petter Holme

Using bioimaging technology, biologists have attempted to identify and document analytical interpretations that underlie biological phenomena in biological cells. Theoretical biology aims at distilling those interpretations into knowledge…

In recent years considerable portion of the computer science community has focused its attention on understanding living cell biochemistry and efforts to understand such complication reaction environment have spread over wide front, ranging…

Computational Engineering, Finance, and Science · Computer Science 2009-11-13 Zoran Konkoli

Optimal (reversible) processes in thermodynamics can be modelled as step-by-step processes, where the system is successively thermalized with respect to different Hamiltonians by an external thermal bath. However, in practice interactions…

To perform recognition, molecules must locate and specifically bind their targets within a noisy biochemical environment with many look-alikes. Molecular recognition processes, especially the induced-fit mechanism, are known to involve…

Biomolecules · Quantitative Biology 2010-07-27 Yonatan Savir , Tsvi Tlusty

Biomolecules stochastically occupy different possible configurations with probabilities given by non-equilibrium steady-state distributions. These distributions are determined by the transition rate constants between different…

Biological Physics · Physics 2024-07-19 Easun Arunachalam , Milo M. Lin

Current mathematical frameworks for predicting the flux state and macromolecular composition of the cell do not rely on thermodynamic constraints to determine the spontaneous direction of reactions. These predictions may be biologically…

Optimization and Control · Mathematics 2020-08-14 Amir Akbari , Bernhard O. Palsson

In view of ever-changing conditions both in the external world and in intrinsic brain states, maintaining the robustness of computations poses a challenge, adequate solutions to which we are only beginning to understand. At the level of…

Neurons and Cognition · Quantitative Biology 2022-03-29 Nelson Niemeyer , Jan-Hendrik Schleimer , Susanne Schreiber

Digital computers implement computations using circuits, as do many naturally occurring systems (e.g., gene regulatory networks). The topology of any such circuit restricts which variables may be physically coupled during the operation of a…

Statistical Mechanics · Physics 2023-07-26 David Hilton Wolpert , Artemy Kolchinsky

Improved understanding of molecular systems has only emphasised the sophistication of networks within the cell. Simultaneously, the advance of nucleic acid nanotechnology, a platform within which reactions can be exquisitely controlled, has…

Molecular Networks · Quantitative Biology 2017-10-03 Thomas E. Ouldridge

Due to large fluctuations in cellular environments, transfer of information in biological processes without regulation is inherently error-prone. The mechanistic details of error-reducing mechanisms in biological copying processes have been…

Biological Physics · Physics 2022-02-28 Yonghyun Song , Changbong Hyeon

Cells process external and internal signals through chemical interactions. Cells that constitute the immune system (e.g., antigen presenting cell, T-cell, B-cell, mast cell) can have different functions (e.g., adaptive memory, inflammatory…

Molecular Networks · Quantitative Biology 2017-09-21 John A. P. Sekar , James R. Faeder

Cells must continuously sense and respond to time-varying environmental stimuli. These signals are transmitted and processed by biochemical signalling networks. However, the biochemical reactions making up these networks are intrinsically…

Molecular Networks · Quantitative Biology 2015-05-18 Filipe Tostevin , Pieter Rein ten Wolde

Stochasticity is a key characteristic of intracellular processes such as gene regulation and chemical signalling. Therefore, characterising stochastic effects in biochemical systems is essential to understand the complex dynamics of living…

Molecular Networks · Quantitative Biology 2019-03-04 David J. Warne , Ruth E. Baker , Matthew J. Simpson

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

Living cells display a remarkable capacity to compartmentalize their functional biochemistry. A particularly fascinating example is the cell nucleus. Exchange of macromolecules between the nucleus and the surrounding cytoplasm does not…

Subcellular Processes · Quantitative Biology 2017-04-19 Ching-Hao Wang , Pankaj Mehta , Michael Elbaum

Reaction systems are a computational model inspired by the bio-chemical reactions that happen inside biological cells. They have been and currently are studied for their many nice theoretical properties. They are also a useful modeling tool…

Formal Languages and Automata Theory · Computer Science 2020-08-05 Claudio Ferretti , Alberto Leporati , Luca Manzoni , Antonio E. Porreca

In the theoretical modelling of a physical system a crucial step consists in the identification of those degrees of freedom that enable a synthetic, yet informative representation of it. While in some cases this selection can be carried out…

Statistical Mechanics · Physics 2020-06-30 Marco Giulini , Roberto Menichetti , M. Scott Shell , Raffaello Potestio

This letter exposes a tight connection between the thermodynamic efficiency of information processing and predictive inference. A generalized lower bound on dissipation is derived for partially observable information engines which are…

Statistical Mechanics · Physics 2020-02-12 Susanne Still