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Computational techniques are required for narrowing down the vast space of possibilities to plausible prebiotic scenarios, since precise information on the molecular composition, the dominant reaction chemistry, and the conditions for that…

Molecular Networks · Quantitative Biology 2018-02-07 Jakob L. Andersen , Christoph Flamm , Daniel Merkle , Peter F. Stadler

Over the last decade we have witnessed an increasing use of data processing in embedded systems. Where in the past the data processing was limited (if present at all) to the handling of a small number of "on-off control signals", more…

Software Engineering · Computer Science 2013-11-15 Boudewijn R. Haverkort

Can a micron sized sack of interacting molecules understand, and adapt to a constantly-fluctuating environment? Cellular life provides an existence proof in the affirmative, but the principles that allow for life's existence are far from…

Molecular Networks · Quantitative Biology 2022-05-16 William Poole , Thomas Ouldridge , Manoj Gopalkrishnan , Erik Winfree

Peptides play a pivotal role in a wide range of biological activities through participating in up to 40% protein-protein interactions in cellular processes. They also demonstrate remarkable specificity and efficacy, making them promising…

Biomolecules · Quantitative Biology 2024-02-09 Song Yin , Xuenan Mi , Diwakar Shukla

The reversible reactions like A+B <-> C in the many-component diffusive system affect the diffusive properties of the constituents. The effective conjugation of irreversible processes of different dimensionality takes place due to the…

Other Condensed Matter · Physics 2007-05-23 Serge Shpyrko , Vladimir M. Sysoev

In this work, we consider the problem of estimating summary statistics to characterise biochemical reaction networks of interest. Such networks are often described using the framework of the Chemical Master Equation (CME). For…

Quantitative Methods · Quantitative Biology 2018-11-27 Christopher Lester , Christian A. Yates , Ruth E. Baker

Synthetic biology is an interdisciplinary field aiming to design biochemical systems with desired behaviors. To this end, molecular controllers have been developed which, when embedded into a pre-existing ambient biochemical network,…

Molecular Networks · Quantitative Biology 2019-08-29 Tomislav Plesa , Guy-Bart Stan , Thomas E. Ouldridge , Wooli Bae

In chemical processing and bioprocessing, conventional online sensors are limited to measure only basic process variables like pressure and temperature, pH, dissolved O and CO$_2$ and viable cell density (VCD). The concentration of other…

Quantitative Methods · Quantitative Biology 2020-05-07 Semion Rozov

Variations of physical and chemical characteristics of biomass reduce equipment utilization and increase operational costs of biomass processing. Biomass processing facilities use sensors to monitor the changes in biomass characteristics.…

Optimization and Control · Mathematics 2021-07-20 Berkay Gulcan , Yongjia Song , Sandra D. Eksioglu

We present a multimodal search tool that facilitates retrieval of chemical reactions, molecular structures, and associated text from scientific literature. Queries may combine molecular diagrams, textual descriptions, and reaction data,…

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

There is a growing trend in molecular and synthetic biology of using mechanistic (non machine learning) models to design biomolecular networks. Once designed, these networks need to be validated by experimental results to ensure the…

Quantitative Methods · Quantitative Biology 2020-11-26 Ruby Sedgwick , John Goertz , Molly Stevens , Ruth Misener , Mark van der Wilk

Living systems continuously transform matter and energy through the chemical processes that constitute their metabolism. The overall metabolic rate of an organism correlates positively with its body mass, however both the exact scaling…

Soft Condensed Matter · Physics 2026-03-19 Efe Ilker , Michael Hinczewski , Xingbo Yang , Frank Jülicher

In this paper, we investigate how stochastic reaction processes are affected by external perturbations. We describe an extension of the deterministic metabolic control analysis (MCA) to the stochastic regime. We introduce stochastic…

Quantitative Methods · Quantitative Biology 2009-08-21 Kyung Hyuk Kim , Herbert M. Sauro

The explosive demand for artificial intelligence (AI) workloads has led to a significant increase in silicon area dedicated to lower-precision computations on recent high-performance computing hardware designs. However, mixed-precision…

Computational Engineering, Finance, and Science · Computer Science 2025-09-09 Aditya Kashi , Hao Lu , Wesley Brewer , David Rogers , Michael Matheson , Mallikarjun Shankar , Feiyi Wang

Complex behaviour in many systems arises from the stochastic interactions of spatially distributed particles or agents. Stochastic reaction-diffusion processes are widely used to model such behaviour in disciplines ranging from biology to…

Statistical Mechanics · Physics 2016-08-23 David Schnoerr , Ramon Grima , Guido Sanguinetti

Reaction networks in the bulk and on surfaces are widespread in physical, chemical and biological systems. In macroscopic systems, which include large populations of reactive species, stochastic fluctuations are negligible and the reaction…

Statistical Mechanics · Physics 2007-10-12 Baruch Barzel , Ofer Biham , Raz Kupferman

The precise control of complex reactions is critical for biological processes yet our inability to design for specific outcomes limits the development of synthetic analogues. Here, we leverage differentiable simulators to design nontrivial…

Soft Condensed Matter · Physics 2025-05-13 Ryan Krueger , Ella King , Michael Brenner

A ubiquitous building block of signaling pathways is a cycle of covalent modification (e.g., phosphorylation and dephosphorylation in MAPK cascades). Our paper explores the kind of information processing and filtering that can be…

Molecular Networks · Quantitative Biology 2015-05-13 Carlos Gomez-Uribe , George C. Verghese , Leonid A. Mirny

Researchers in the biological sciences nowadays often encounter the curse of high-dimensionality, which many previously developed statistical models fail to overcome. To tackle this problem, sufficient dimension reduction aims to estimate…

Methodology · Statistics 2012-03-19 Hung Hung