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Heterologous gene expression draws resources from host cells. These resources include vital components to sustain growth and replication, and the resulting cellular burden is a widely recognised bottleneck in the design of robust circuits.…

Molecular Networks · Quantitative Biology 2020-04-06 Evangelos-Marios Nikolados , Andrea Y. Weiße , Diego A. Oyarzún

Motivated by recent experimental developments in functional genomics, we construct and test a numerical technique for inferring it process pathways, in which one process calls another process, from time series data. We validate using a case…

Biological Physics · Physics 2007-05-23 Chris Wiggins , Ilya Nemenman

Protein backbone generation plays a central role in de novo protein design and is significant for many biological and medical applications. Although diffusion and flow-based generative models provide potential solutions to this challenging…

Machine Learning · Computer Science 2025-05-29 Angxiao Yue , Zichong Wang , Hongteng Xu

Sequence generative models are transforming protein engineering. However, no principled framework exists for conditioning these models on auxiliary information, such as experimental data, without additional training of a generative model.…

Machine Learning · Computer Science 2026-01-19 Junhao Xiong , Ishan Gaur , Maria Lukarska , Hunter Nisonoff , Luke M. Oltrogge , David F. Savage , Jennifer Listgarten

All living systems can function only far away from equilibrium, and for this reason chemical kinetic methods are critically important for uncovering the mechanisms of biological processes. Here we present a new theoretical method of…

Subcellular Processes · Quantitative Biology 2018-04-27 Maria P. Kochugaeva , Alexey A. Shvets , Anatoly B. Kolomeisky

Gene expression is significantly stochastic making modeling of genetic networks challenging. We present an approximation that allows the calculation of not only the mean and variance but also the distribution of protein numbers. We assume…

Molecular Networks · Quantitative Biology 2008-12-18 Vahid Shahrezaei , Peter S. Swain

Synthetic genetic circuits are implemented in living cells for their operation. During gene expression, proteins are produced from the respective genes, by formation of complexes through the process of transcription and translation. In…

Molecular Networks · Quantitative Biology 2021-12-10 Priya Chakraborty , Sayantari Ghosh

Transcriptomic data is a treasure-trove in modern molecular biology, as it offers a comprehensive viewpoint into the intricate nuances of gene expression dynamics underlying biological systems. This genetic information must be utilised to…

Molecular Networks · Quantitative Biology 2023-12-13 Vikram Singh , Vikram Singh

In silico tools are important for generating novel hypotheses and exploring alternatives in de novo metabolic pathway design. However, while many computational frameworks have been proposed for retrobiosynthesis, few successful examples of…

Machine Learning · Computer Science 2026-04-16 Peter Zhiping Zhang , Jeffrey D. Varner

The discovery of processes for the synthesis of new materials involves many decisions about process design, operation, and material properties. Experimentation is crucial but as complexity increases, exploration of variables can become…

BioDynaMo is a biological processes simulator developed by an international community of researchers and software engineers working closely with neuroscientists. The authors have been working on gene expression, i.e. the process by which…

Quantitative Methods · Quantitative Biology 2018-03-13 Sadyk Sayfullin , Fedor Akhmetov , Manuel Mazzara , Ruslan Mustafin , Victor Rivera

Synthetic samples from diffusion models are promising for leveraging in training discriminative models as replications of real training datasets. However, we found that the synthetic datasets degrade classification performance over real…

Artificial Intelligence · Computer Science 2023-11-23 Shin'ya Yamaguchi , Takuma Fukuda

Proteins are macromolecules that mediate a significant fraction of the cellular processes that underlie life. An important task in bioengineering is designing proteins with specific 3D structures and chemical properties which enable…

Quantitative Methods · Quantitative Biology 2022-05-31 Namrata Anand , Tudor Achim

We introduce a graph generating model aimed at representing the evolution of protein interaction networks. The model is based on the hypotesis of evolution by duplications and divergence of the genes which produce proteins. The obtained…

Statistical Mechanics · Physics 2007-05-23 A. Vazquez , A. Flammini , A. Maritan , A. Vespignani

We describe modeling approaches to a "network" of connected enzyme-catalyzed reactions, with added (bio)chemical processes that introduce biochemical filtering steps into the functioning of such a biocatalytic cascade. Theoretical…

Molecular Networks · Quantitative Biology 2016-12-13 Vladimir Privman

SE(3)-based generative models have shown great promise in protein geometry modeling and effective structure design. However, the field currently lacks a modularized benchmark to enable comprehensive investigation and fair comparison of…

Machine Learning · Computer Science 2025-07-29 Lang Yu , Zhangyang Gao , Cheng Tan , Qin Chen , Jie Zhou , Liang He

Ribonucleic acid (RNA) binds to molecules to achieve specific biological functions. While generative models are advancing biomolecule design, existing methods for designing RNA that target specific ligands face limitations in capturing…

Biomolecules · Quantitative Biology 2025-10-14 Runze Ma , Zhongyue Zhang , Zichen Wang , Chenqing Hua , Jiahua Rao , Zhuomin Zhou , Shuangjia Zheng

The sheer amounts of biological data that are generated in recent years have driven the development of network analysis tools to facilitate the interpretation and representation of these data. A fundamental challenge in this domain is the…

Quantitative Methods · Quantitative Biology 2013-07-31 Arnon Mazza , Irit Gat-Viks , Hesso Farhan , Roded Sharan

Generative models in drug discovery have recently gained attention as efficient alternatives to brute-force virtual screening. However, most existing models do not account for synthesizability, limiting their practical use in real-world…

Biomolecules · Quantitative Biology 2025-03-07 Seonghwan Seo , Minsu Kim , Tony Shen , Martin Ester , Jinkyoo Park , Sungsoo Ahn , Woo Youn Kim

Mechanistic network models specify the mechanisms by which networks grow and change, allowing researchers to investigate complex systems using both simulation and analytical techniques. Unfortunately, it is difficult to write likelihoods…

Methodology · Statistics 2023-07-19 Jonathan Larson , Jukka-Pekka Onnela
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