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The biological functions of proteins often depend on dynamic structural ensembles. In this work, we develop a flow-based generative modeling approach for learning and sampling the conformational landscapes of proteins. We repurpose highly…

Biomolecules · Quantitative Biology 2024-09-04 Bowen Jing , Bonnie Berger , Tommi Jaakkola

Large-scale genomic workflows used in precision medicine can process datasets spanning tens to hundreds of gigabytes per sample, leading to high memory spikes, intensive disk I/O, and task failures due to out-of-memory errors. Simple static…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-11-21 Daniel Mas Montserrat , Ray Verma , Míriam Barrabés , Francisco M. de la Vega , Carlos D. Bustamante , Alexander G. Ioannidis

Transcriptional activity has been shown to relate to the organization of chromosomes in the eukaryotic nucleus and in the bacterial nucleoid. In particular, highly transcribed genes, RNA polymerases and transcription factors gather into…

Biological Physics · Physics 2010-05-11 Ivan Junier , Olivier Martin , François Képès

Gene Regulatory Networks are networks of interactions in biological organisms responsible for determining the production levels of proteins and peptides. Proteins are workers of a cell factory, and their production defines the goal of a…

Neural and Evolutionary Computing · Computer Science 2022-09-12 Iliya Miralavy , Wolfgang Banzhaf

All stem cell fate transitions, including the metabolic reprogramming of stem cells and the somatic reprogramming of fibroblasts into pluripotent stem cells, can be understood from a unified theoretical model of cell fates. Each cell fate…

Biomolecules · Quantitative Biology 2020-02-17 Ng Shyh-Chang , Liaofu Luo

The circadian rhythm plays a crucial role in regulating biological processes, and its disruption is linked to various health issues. Identifying small molecules that influence the circadian period is essential for developing targeted…

Neural and Evolutionary Computing · Computer Science 2026-01-12 Antonio Arauzo-Azofra , Jose Molina-Baena , Maria Luque-Rodriguez

For over two decades, Flux Balance Analysis (FBA) has been successfully used for predicting growth rates and intracellular reaction rates in microbiological metabolism. An aspect that is often omitted from this analysis, is segregation or…

Systems and Control · Electrical Eng. & Systems 2023-06-02 Michiel Busschaert , Florence H. Vermeire , Steffen Waldherr

The automatic generation of computer programs is one of the main applications with practical relevance in the field of evolutionary computation. With program synthesis techniques not only software developers could be supported in their…

Neural and Evolutionary Computing · Computer Science 2021-08-30 Dominik Sobania , Dirk Schweim , Franz Rothlauf

Surviving in a diverse environment requires corresponding organism responses. At the cellular level, such adjustment relies on the transcription factors (TFs) which must rapidly find their target sequences amidst a vast amount of…

Quantitative Methods · Quantitative Biology 2009-11-13 Vahid Rezania , Jack Tuszynski , Michael Hendzel

In the last years, tens of thousands gene expression profiles for cells of several organisms have been monitored. Gene expression is a complex transcriptional process where mRNA molecules are translated into proteins, which control most of…

Biomolecules · Quantitative Biology 2009-11-11 T. Ochiai , J. C. Nacher , T. Akutsu

Gene expression programming is an evolutionary optimization algorithm with the potential to generate interpretable and easily implementable equations for regression problems. Despite knowledge gained from previous optimizations being…

Neural and Evolutionary Computing · Computer Science 2025-02-05 Maximilian Reissmann , Yuan Fang , Andrew S. H. Ooi , Richard D. Sandberg

Ecologists are interested in modeling the population growth of species in various ecosystems. Studying population dynamics can assist environmental managers in making better decisions for the environment. Traditionally, the sampling of…

Methodology · Statistics 2021-02-04 Rebecca E. Atanga , Edward L. Boone , Ryad A. Ghanam , Ben Stewart-Koster

Artificial neurons built on synthetic gene networks have potential applications ranging from complex cellular decision-making to bioreactor regulation. Furthermore, due to the high information throughput of natural systems, it provides an…

Neural and Evolutionary Computing · Computer Science 2020-01-31 Sihao Huang

Multicellular tissues are the building blocks of many biological systems and organs. These tissues are not static, but dynamically change over time. Even if the overall structure remains the same there is a turnover of cells within the…

Tissues and Organs · Quantitative Biology 2021-02-12 Domenic P. J. Germano , James M. Osborne

Recent evidence suggests that nongenetic (epigenetic) mechanisms play an important role at all stages of cancer evolution. In many cancers, these mechanisms have been observed to induce dynamic switching between two or more cell states,…

Quantitative Methods · Quantitative Biology 2023-06-16 Einar Bjarki Gunnarsson , Jasmine Foo , Kevin Leder

There is an unmet need for artificial intelligence techniques that can speed up the design of growth strategies for cultured tissues. Cultured tissue is increasingly important for a range of applications such as cultivated meat,…

Biological Physics · Physics 2025-08-04 Allison E. Andrews , Hugh Dickinson , James P. Hague

We study a class of growth algorithms for directed graphs that are candidate models for the evolution of genetic regulatory networks. The algorithms involve partial duplication of nodes and their links, together with innovation of new…

Molecular Networks · Quantitative Biology 2007-05-23 D. V. Foster , S. A. Kauffman , J. E. S. Socolar

It is well known that tumors originating from the same tissue have different prognosis and sensitivity to treatments. Over the last decade, cancer genomics consortia like the Cancer Genome Atlas (TCGA) have been generating thousands of…

Predictive modeling of the evolutionary dynamics of cancer is a challenge issue in computational cancer biology. In this paper, we propose a general mathematical model framework for the evolutionary dynamics of cancer with plasticity and…

Cell Behavior · Quantitative Biology 2020-01-10 Jinzhi Lei

A powerful approach for understanding neural population dynamics is to extract low-dimensional trajectories from population recordings using dimensionality reduction methods. Current approaches for dimensionality reduction on neural data…

Machine Learning · Statistics 2017-11-07 Marcel Nonnenmacher , Srinivas C. Turaga , Jakob H. Macke
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