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Genetic circuit design is a well-studied problem in synthetic biology. Ever since the first genetic circuits -- the repressilator and the toggle switch -- were designed and implemented, many advances have been made in this area of research.…

Molecular Networks · Quantitative Biology 2021-11-09 Debomita Chakraborty , Raghunathan Rengaswamy , Karthik Raman

In living cells, biochemical reactions are catalyzed by specific enzymes and connect to one another by sharing substrates and products, forming complex networks. In our previous studies, we established a framework determining the responses…

Molecular Networks · Quantitative Biology 2017-09-06 Takashi Okada , Atsushi Mochizuki

Biological systems and processes are networks of complex nonlinear regulatory interactions between nucleic acids, proteins, and metabolites. A natural way in which to represent these interaction networks is through the use of a graph. In…

Molecular Networks · Quantitative Biology 2023-01-04 Jacob Rast

Genetic regulatory networks with adaptive responses are widely studied in biology. Usually, models consisting only of a few nodes have been considered. They present one input receptor for activation and one output node where the adaptive…

Molecular Networks · Quantitative Biology 2016-07-20 Pablo Kaluza , Masayo Inoue

Associative learning is one of the key mechanisms displayed by living organisms in order to adapt to their changing environments. It was early recognized to be a general trait of complex multicellular organisms but also found in "simpler"…

Cell Behavior · Quantitative Biology 2017-01-24 Javier Macia , Blai Vidiella , Ricard Sole

Understanding the dependence and interplay between architecture and function in biological networks has great relevance to disease progression, biological fabrication and biological systems in general. We propose methods to assess the…

Quantitative Methods · Quantitative Biology 2009-10-17 Soumen Roy , Vladimir Filkov

Living organisms produce metabolites of many types via their metabolisms. Especially, flavonoids, a kind of secondary metabolites, of plant species are interesting examples. Since plant species are believed to have specific flavonoids with…

Populations and Evolution · Quantitative Biology 2015-03-19 Kazuhiro Takemoto

This series presents an approach to mathematical biology which makes precise the function of biological molecules. Because biological systems compute, the theory is a general purpose computer language. I build a language for efficiently…

Molecular Networks · Quantitative Biology 2007-05-23 Ron Maimon

Rapid advance of experimental techniques provides an unprecedented in-depth view into complex developmental processes. Still, little is known on how the complexity of multicellular organisms evolved by elaborating developmental programs and…

Molecular Networks · Quantitative Biology 2021-07-16 Somya Mani , Tsvi Tlusty

We investigate the use of an extension of rule-based modelling for cellular signalling to create a structured space of model variants. This enables the incremental development of rule sets that start from simple mechanisms and which, by a…

Other Computer Science · Computer Science 2009-11-16 Russ Harmer

Aspects of cell metabolism are modeled by ordinary differential equations describing the change of intracellular chemical concentrations. There is a correspondence between this dynamical system and a complex network. As in the classic…

Molecule design is a fundamental problem in molecular science and has critical applications in a variety of areas, such as drug discovery, material science, etc. However, due to the large searching space, it is impossible for human experts…

Machine Learning · Computer Science 2022-03-29 Yuanqi Du , Tianfan Fu , Jimeng Sun , Shengchao Liu

Materials discovery is decisive for tackling urgent challenges related to energy, the environment, health care and many others. In chemistry, conventional methodologies for innovation usually rely on expensive and incremental strategies to…

Machine Learning · Computer Science 2020-06-09 Daniel Schwalbe-Koda , Rafael Gómez-Bombarelli

Diffusion models are learning pattern-learning systems to model and sample from data distributions with three functional components namely the forward process, the reverse process, and the sampling process. The components of diffusion…

Machine Learning · Computer Science 2025-06-02 Ziyi Chang , George Alex Koulieris , Hyung Jin Chang , Hubert P. H. Shum

A coupled map is suggested to investigate various spatial or temporal designs in biology: Several cells (or tissues) in an organ are considered as connected to each other in terms of some molecular diffusions or electrical potential…

General Physics · Physics 2011-06-07 Caglar Tuncay

Gene regulatory networks (GRNs) play a central role in cellular decision-making. Understanding their structure and how it impacts their dynamics constitutes thus a fundamental biological question. GRNs are frequently modeled as Boolean…

Molecular Networks · Quantitative Biology 2024-01-19 Claus Kadelka , Taras-Michael Butrie , Evan Hilton , Jack Kinseth , Addison Schmidt , Haris Serdarevic

The ability to reason beyond established knowledge allows Organic Chemists to solve synthetic problems and to invent novel transformations. Here, we propose a model which mimics chemical reasoning and formalises reaction prediction as…

Artificial Intelligence · Computer Science 2017-12-27 Marwin H. S. Segler , Mark P. Waller

Understanding the rules underlying organismal development is a major unsolved problem in biology. Each cell in a developing organism responds to signals in its local environment by dividing, excreting, consuming, or reorganizing, yet how…

Cell Behavior · Quantitative Biology 2025-08-20 Ramya Deshpande , Francesco Mottes , Ariana-Dalia Vlad , Michael P. Brenner , Alma dal Co

Generative modeling has become a central paradigm in protein research, extending machine learning beyond structure prediction toward sequence design, backbone generation, inverse folding, and biomolecular interaction modeling. However, the…

Machine Learning · Computer Science 2026-03-30 Senura Hansaja Wanasekara , Minh-Duong Nguyen , Xiaochen Liu , Nguyen H. Tran , Ken-Tye Yong

High-performance computing systems (HPC) provide powerful capabilities for modeling, simulation, and data analytics for a broad class of computational problems. They enable extreme performance of the order of quadrillion floating-point…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-11-01 Saurabh Hukerikar , Christian Engelmann
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