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In prokaryotic genomes the number of transcriptional regulators is known to quadratically scale with the total number of protein-coding genes. Toolbox model was recently proposed to explain this scaling for metabolic enzymes and their…

Molecular Networks · Quantitative Biology 2010-09-24 Tin Yau Pang , Sergei Maslov

The rapid digitization of histopathology slides has opened up new possibilities for computational tools in clinical and research workflows. Among these, content-based slide retrieval stands out, enabling pathologists to identify…

Computer Vision and Pattern Recognition · Computer Science 2025-10-28 Hongyi Wang , Zhengjie Zhu , Jiabo Ma , Fang Wang , Yue Shi , Bo Luo , Jili Wang , Qiuyu Cai , Xiuming Zhang , Yen-Wei Chen , Lanfen Lin , Hao Chen

The applications of large language models (LLMs) in various biological domains have been explored recently, but their reasoning ability in complex biological systems, such as pathways, remains underexplored, which is crucial for predicting…

Machine Learning · Computer Science 2025-07-23 Haiteng Zhao , Chang Ma , Fangzhi Xu , Lingpeng Kong , Zhi-Hong Deng

We present a molecular simulation method to simultaneously find multiple transition pathways, and their associated free-energy profiles. The scheme extends path-metadynamics (PMD) [Phys. Rev. Lett. 109, 020601 (2012)] with multiple paths…

Statistical Mechanics · Physics 2025-06-23 Alberto Pérez de Alba Ortíz , Bernd Ensing

The genome-scale metabolic model with protein constraint (PC-model) has been increasingly popular for microbial metabolic simulations. We present PROSO Toolbox, a unified and simple-to-use PC-model toolbox that takes any high-quality…

Molecular Networks · Quantitative Biology 2023-08-30 Haoyang Yao , Laurence Yang

Computational Pathology CPath is an interdisciplinary science that augments developments of computational approaches to analyze and model medical histopathology images. The main objective for CPath is to develop infrastructure and workflows…

Biologically-informed neural networks typically leverage pathway annotations to enhance performance in biomedical applications. We hypothesized that the benefits of pathway integration does not arise from its biological relevance, but…

Quantitative Methods · Quantitative Biology 2025-05-08 Isabella Caranzano , Corrado Pancotti , Cesare Rollo , Flavio Sartori , Pietro Liò , Piero Fariselli , Tiziana Sanavia

The complexity and variability inherent in high-resolution pathological images present significant challenges in computational pathology. While pathology foundation models leveraging AI have catalyzed transformative advancements, their…

Understanding large molecular networks consisting of entities such as genes, proteins or RNAs that interact in complex ways to drive the cellular machinery has been an active focus of systems biology. Computational approaches have played a…

Molecular Networks · Quantitative Biology 2013-04-23 Sriganesh Srihari , Mark A. Ragan

It has been shown that genome spatial structures largely affect both genome activity and DNA function. Knowing this, many researchers are currently attempting to accurately model genome structures. Despite these increased efforts there…

Genomics · Quantitative Biology 2015-07-24 Jackson Nowotny , Avery Wells , Lingfei Xu , Renzhi Cao , Tuan Trieu , Chenfeng He , Jianlin Cheng

The histological assessment of human tissue has emerged as the key challenge for detection and treatment of cancer. A plethora of different data sources ranging from tissue microarray data to gene expression, proteomics or metabolomics data…

Computer Vision and Pattern Recognition · Computer Science 2016-01-05 Thomas J. Fuchs , Joachim M. Buhmann

Plastid genomes (plastomes) of angiosperms are of great interest among biologists. High-throughput sequencing is making many such genomes accessible, increasing the need for tools to perform rapid comparative analysis. This exploratory…

Genomics · Quantitative Biology 2023-10-31 Richa Jayanti , Andrew Kim , Sean Pham , Athreya Raghavan , Anish Sharma , Manoj P. Samanta

Discovering disease pathways, which can be defined as sets of proteins associated with a given disease, is an important problem that has the potential to provide clinically actionable insights for disease diagnosis, prognosis, and…

Molecular Networks · Quantitative Biology 2017-12-05 Monica Agrawal , Marinka Zitnik , Jure Leskovec

Recent breakthroughs in cancer research have come via the up-and-coming field of pathway analysis. By applying statistical methods to prior known gene and protein regulatory information, pathway analysis provides a meaningful way to…

Genomics · Quantitative Biology 2017-10-11 Yue Zhao

Small language models (SLMs) enable scalable tool-augmented multi-agent systems where multiple SLMs handle subtasks orchestrated by a powerful coordinator. However, they struggle with tool-use tasks, particularly in selecting appropriate…

Computation and Language · Computer Science 2026-04-21 Jonggeun Lee , Woojung Song , Jongwook Han , Haesung Pyun , Yohan Jo

BioStatFlow is a free web application, useful to facilitate the performance of statistical analyses of "omics", including metabolomics, data using R packages. It is a fast and easy on-line tool for biologists who are not experts in…

Quantitative Methods · Quantitative Biology 2020-07-10 Daniel Jacob , Catherine Deborde , Annick Moing

Digital pathology has become a standard in the pathology workflow due to its many benefits. These include the level of detail of the whole slide images generated and the potential immediate sharing of cases between hospitals. Recent…

Human-Computer Interaction · Computer Science 2023-07-18 Cristian Camilo Pulgarín-Ospina , Rocío del Amor , Adrián Colomera , Julio Silva-Rodríguez , Valery Naranjo

When algorithmic skeletons were first introduced by Cole in late 1980 the idea had an almost immediate success. The skeletal approach has been proved to be effective when application algorithms can be expressed in terms of skeletons…

Distributed, Parallel, and Cluster Computing · Computer Science 2015-03-12 Patrizio Dazzi

Despite the success of large language models (LLMs) on general-purpose tasks, their performance in highly specialized domains such as biomedicine remains unsatisfactory. A key limitation is the inability of LLMs to effectively leverage…

Computation and Language · Computer Science 2026-05-08 Xin Gao , Ruiyi Zhang , Meixi Du , Peijia Qin , Pengtao Xie

Identifying metabolic sites where cytochrome P450 enzymes metabolize small-molecule drugs is essential for drug discovery. Although existing computational approaches have been proposed for site-of-metabolism prediction, they typically…

Quantitative Methods · Quantitative Biology 2026-01-30 Hajung Kim , Eunha Lee , Sohyun Chung , Jueon Park , Seungheun Baek , Jaewoo Kang