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29th International Conference on Research in Computational Molecular biology, RECOMB 2025

作者： Şapcı, Ali Osman Berk Mirarab, Siavash Bioinformatics and Systems Biology Graduate Program UC San Diego San DiegoCA92093 United States Department of Electrical and Computer Engineering UC San Diego San DiegoCA92093 United States

ISBN: (纸本)9783031902512

Searching reads from unknown origins in a reference database and finding evolutionarily similar genomes is central to many applications. Quantifying the similarity by estimating the distance between each read and matching references could further help downstream analyses such as taxonomic characterization or even placing the read on a reference phylogeny. Such distances can be computed using alignment. Since alignment becomes impractical for ultra-large reference databases, many use k-mer-based tools for downstream tasks, but these methods do not compute distances. We introduce krepp to compute the distance between a read and a genome using a maximum likelihood framework built around k-mers. We further introduce algorithms to place reads on a reference tree. Empirical evaluations show that krepp accurately estimates distances, scales well with large databases, and can place short reads coming from any part of the genome on a reference phylogeny. © The Author(s), under exclusive license to Springer Nature Switzerland AG 2025.

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Emerging Techniques in Spatial Multiomics: Fundamental Principles and Applications to Dermatology

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Journal of Investigative Dermatology 2025年第5期145卷 1017-1032页

作者： Jia, Bojing B. Sun, Bryan K. Lee, Ernest Y. Ren, Bing Bioinformatics and Systems Biology Graduate Program University of California San Diego La Jolla CA United States Medical Scientist Training Program University of California San Diego La Jolla CA United States Department of Dermatology University of California Irvine Irvine CA United States Department of Dermatology University of California San Francisco San Francisco CA United States Center for Epigenomics Department of Cellular & Molecular Medicine University of California San Diego La Jolla CA United States Institute of Genomic Medicine Moores Cancer Center School of Medicine University of California San Diego La Jolla CA United States

Molecular pathology, such as high-throughput genomic and proteomic profiling, identifies precise disease targets from biopsies but require tissue dissociation, losing valuable histologic and spatial context. Emerging spatial multi-omic technologies now enable multiplexed visualization of genomic, proteomic, and epigenomic targets within a single tissue slice, eliminating the need for labeling multiple adjacent slices. Although early work focused on RNA (spatial transcriptomics), spatial technologies can now concurrently capture DNA, genome accessibility, histone modifications, and proteins with spatially-resolved single-cell resolution. This review outlines the principles, advantages, limitations, and potential for spatial technologies to advance dermatologic research. By jointly profiling multiple molecular channels, spatial multiomics enables novel studies of copy number variations, clonal heterogeneity, and enhancer dysregulation, replete with spatial context, illuminating the skin's complex heterogeneity. © 2024 The Authors

关键词： Dermatopathology Digital pathology Multiomics Multiplexed imaging Spatial sequencing

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OXidative Stress PREDictor: A Supervised Learning Approach for Annotating Cellular Oxidative Stress States in Inflammatory Cells

Advanced Intelligent Systems

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Advanced Intelligent systems 2025年第3期7卷

作者： Chen, Po-Yuan Ko, Tai-Ming Institute of Bioinformatics and Systems Biology College of Engineering Bioscience National Yang Ming Chiao Tung University Hsinchu300 Taiwan Bioinformatics Program Institute of Statistical Science Taiwan International Graduate Program Academia Sinica Taipei115 Taiwan Institute of Biomedical Sciences Academia Sinica Taipei115 Taiwan Institute of Statistical Science Academia Sinica Taipei115 Taiwan Department of Biological Science and Technology College of Engineering Bioscience National Yang Ming Chiao Tung University Hsinchu300 Taiwan National Yang Ming Chiao Tung University Hsinchu300 Taiwan School of Pharmacy College of Pharmacy Drug Development and Value Creation Research Center Kaohsiung Medical University Kaohsiung807 Taiwan

Oxidative stress, characterized by an imbalance between reactive oxygen species (ROS) and antioxidants, plays a pivotal role in inflammatory responses associated with both chronic diseases and acute injuries. In this study, OXidative Stress PREDictor (OxSpred), a supervised learning model tailored to accurately annotate the oxidative stress state of innate immune cells at the single-cell level, is introduced. Compared to the traditional gene-set-variation-analysis-based enrichment method, OxSpred demonstrates superior accuracy with an area under the receiver operating characteristic curve of 0.89 and offers interpretable embeddings with significant biological relevance. Using the predicted ROS states, precise elucidation and interpretation of the roles of novel innate immune cell subtypes can be achieved. Overall, OxSpred enhances the utility of single-cell transcriptomic datasets by providing a robust in silico method for determining intracellular oxidative stress states, thereby enriching the understanding of innate immune cell functions during inflammation. © 2024 The Author(s). Advanced Intelligent systems published by Wiley-VCH GmbH.

关键词： Cells

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BPS2025 - Characterizing oligomeric amyloid-β42 and POPC interactions through molecular dynamics: A computational approach for understanding Alzheimer’s disease

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Biophysical Journal 2025年第3期124卷 70a-70a页

作者： Emma M. Cleveland Kelsie M. King Anne M. Brown Systems Biology Virginia Tech Blacksburg VA USA Genetics Bioinformatics and Computational Biology program Virginia Tech Christiansburg VA USA Department of Biochemistry Virginia Tech University Blacksburg VA USA

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Breaking the high-throughput bottleneck

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Scientific Computing 2006年第4期23卷 22-26页

作者： Waters, Katrina M. Singhal, Mudita Webb-Robertson, Bobbie-Jo M. Stephan, Eric G. Gephart, Julie M. Computational Biology and Bioinformatics Groups United States Lab's Systems Biology Program Biological Sciences Division United States PNNL United States

The development of high-throughput (HTP) technologies such as transcriptomics (microarrays) and proteomics has made a revolution in the medical industry. PNNL is developing a systems biology computational framework using a problem-solving environment called bioinformatics Resource Manager (BRM) that automates routine data-merging and data-mining methods, and provides seamless linkage to data visualization tools. The BRM is designed to be operated by biologists looking for greater insights into their experimental results. BRM uses Remote Method Invocation (RMI) to launch several external data analysis tools, including NCBI's PubMed, the Conserved Domain Architectural Retrieval Tool (CDART) and the Basic Local Alignment Search Tool (BLAST). PQuad is a proteomics visualization tool that combines DNA or RNA sequence and proteomics data at multiple resolutions. It enables visualization of the data at the chromosome, gene and sequence levels.

关键词： Data visualization

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Modeling and analyzing three-dimensional structures of human disease proteins

Modeling and analyzing three-dimensional structures of human...

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11th Pacific Symposium on Biocomputing 2006, PSB 2006

作者： Ye, Yuzhen Li, Zhanwen Godzik, Adam Bioinformatics and Systems Biology Program Burnham Institute San Diego CA 92037 United States

ISBN: (纸本)9812564632

Three-dimensional structures of proteins, experimental or predicted, show us how these molecular machines actually work. With the help of information on disease-related mutations, they can also show us how they malfunction in diseases. Such understanding, currently lacking for most human diseases, is an important first step before designing drugs or therapies to cure specific diseases. Here we used homology modeling to model human disease-related proteins, and studied structural characteristics of disease related' mutations and compared them with non synonymous SNPs. 1484 domains from 874 proteins were modeled, and together with experimentally determined structures of 369 domains they provided the structural coverage of 48% of total residues in 1237 human disease proteins. We found that disease-related mutations have statistically significantly preference to form clusters on protein surfaces. In contrast, the non-synonymous SNPs appear to be randomly distributed on the surface. We interpret these results as an indication that disease mutations affect protein-protein interaction interfaces. This interpretation is supported by the analysis of 8 experimentally determined complexes between disease proteins, where disease-related mutations are clearly located in the binding interface of proteins, while SNPs are not. The non-uniform distribution of disease mutations indicates that we can use this feature as guidance in modeling and evaluating human disease proteins and their complexes. We set up a resource for Disease Protein Models (DPM at http://***/DPM>. which can be used for studying the relation between disease and mutation / polymorphism sites in the context of protein 3D structures and complexes.

关键词： Proteins

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Modeling the causal regulatory network by integrating chromatin accessibility and transcriptome data

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National Science Review 2016年第2期3卷 240-251页

作者： Yong Wang Rui Jiang Wing Hung Wong Department of Statistics Department of Biomedical Data ScienceBio-X ProgramStanford University Academy of Mathematics and Systems Science National Center for Mathematics and Interdisciplinary SciencesChinese Academy of Sciences MOE Key Laboratory of Bioinformatics Bioinformatics Division and Center for Synthetic and Systems BiologyTNLISTDepartment of AutomationTsinghua University

Cell packs a lot of genetic and regulatory information through a structure known as chromatin,*** is wrapped around histone proteins and is tightly packed in a remarkable *** express a gene in a specific coding region,the chromatin would open up and DNA loop may be formed by interacting enhancers and ***,the mediator and cohesion complexes,sequence-specific transcription factors,and RNA polymerase Ⅱ are recruited and work together to elaborately regulate the expression *** is in pressing need to understand how the information,about when,where,and to what degree genes should be expressed,is embedded into chromatin structure and gene regulatory *** to large consortia such as Encyclopedia of DNA Elements(ENCODE) and Roadmap Epigenomic projects,extensive data on chromatin accessibility and transcript abundance are available across many tissues and cell *** rich data offer an exciting opportunity to model the causal regulatory ***,we will review the current experimental approaches,foundational data,computational problems,interpretive frameworks,and integrative models that will enable the accurate interpretation of regulatory ***,we will discuss the efforts to organize,analyze,model,and integrate the DNA accessibility data,transcriptional data,and functional genomic regions *** believe that these efforts will eventually help us understand the information flow within the cell and will influence research directions across many fields.

关键词： gene regulatory network open chromatin DNA accessibility transcription factor colocalization statistical model data integration

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Nanoparticles may influence mast cells gene expression profiles without affecting their degranulation function

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Nanomedicine: Nanotechnology, biology, and Medicine 2025年 66卷 102818-102818页

作者： Newton, Hannah S. Cedrone, Edward Grunberger, Jason Xie, Shaojun Zhao, Yongmei Tran, Bao Toms, Bradley S. Xu, Weining Plant-Hately, Alexander Liptrott, Neill J. Dobrovolskaia, Marina A. Nanotechnology Characterization Lab. Cancer Research Technology Program Frederick National Laboratory for Cancer Research sponsored by the National Cancer Institute FrederickMD21702 United States Utah Center for Nanomedicine Department of Molecular Pharmaceutics University of Utah Salt Lake CityUT United States Sequencing Facility Bioinformatics Group Biomedical Informatics and Data Science Directorate Frederick National Laboratory for Cancer Research sponsored by the National Cancer Institute FrederickMD21702 United States CCR Sequencing Facility Cancer Research Technology Program Frederick National Laboratory for Cancer Research sponsored by the National Cancer Institute FrederickMD21702 United States 10x Genomics Inc. PleasantonCA94588-3260 United States Immunocompatibility Group Department of Pharmacology and Therapeutics Institute of Systems Molecular and Integrative Biology University of Liverpool LiverpoolL7 3NY United Kingdom Institute of Systems Molecular and Integrative Biology University of Liverpool LiverpoolL7 8TX United Kingdom

An in vitro method for monitoring nanoparticle effects on IgE-dependent mast cell degranulation was developed and validated. The assayed nanoparticles included four clinical-grade nanomedicines (Abraxane, Doxil, AmBisome, and Feraheme) and three commercial research-grade nanomaterials (generation 5 PAMAM dendrimers with carboxy-, hydroxy-, or amine- surface functionalities). Most of the tested materials did not alter IgE-dependent mast cell degranulation, suggesting that nanoparticles and nanomedicines are unlikely to worsen pre-existing allergies to other antigens. Two clinical-grade formulations containing cytotoxic oncology drugs—Abraxane and Doxil—decreased degranulation. Abraxane but not Doxil decreased FcΕR expression on the cell surface. Single-cell sequencing revealed the most differentially expressed genes (DEG) in Abraxane and Doxil-treated cultures. Interestingly, Feraheme and amine-terminated dendrimers induced DEG without affecting degranulation. These data demonstrate that some nanomaterials have more effects on immune cells than can be detected by a functional immunoassay. © 2025 Elsevier Inc.

关键词： Nanoclay

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Constructing a Boolean implication network to study the interactions between environmental factors and OTUs

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Frontiers of Electrical and Electronic Engineering in China 2014年第4期9卷 127-141页

作者： Congmin Zhu Rui Jiang Ting Chen MOE Key Laboratory of Bioinformatics and Bioinformatics Division Center for Synthetic & Systems Biology TNLIST/ Department of Automation Tsinghua University Beijing 100084 China Computational and Molecular Biology Program University of Southern California Loa Angles CA 90089 USA

Mining relationships between microbes and the environment they live in are crucial to understand the intrinsic mechanisms that govern cycles of carbon, nitrogen and energy in a microbial community. Building upon next- generation sequencing technology, the selective capture of 16S rRNA genes has enabled the study of co-occurrence patterns of microbial species from the viewpoint of complex networks, yielding successful descriptions of phenomena exhibited in a microbial community. However, since the effects of such environmental factors as temperature or soil conditions on microbes are complex, reliance on the analysis of co-occurrence networks alone cannot elucidate such complicated effects underlying microbial communities. In this study, we apply a statistical method, which is called Boolean implications for metagenomic studies （BIMS） for extracting Boolean implications （IF-THEN relationships） to capture the effects of environmental factors on microbial species based on 16S rRNA sequencing data. We first demonstrate the power and effectiveness of BIMS through comprehensive simulation studies and then apply it to a 16S rRNA sequencing dataset of real marine microbes. Based on a total of 6,514 pairwise relationships identified at a low false discovery rate （FDR） of 0.01, we construct a Boolean implication network between operational taxonomic units （OTUs） and environmental factors. Relationships in this network are supported by literature, and, most importantly, they bring biological insights into the effects of environmental factors on microbes. We next apply BIMS to detect three-way relationships and show the possibility of using this strategy to explain more complex relationships within a microbial community.

关键词： Boolean implication metagenome marine OTUs environmental factors

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KLF2 maintains lineage fidelity and suppresses CD8 T cell exhaustion during acute LCMV infection

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Science (New York, N.Y.) 2025年第6735期387卷 eadn2337页

作者： Fagerberg, Eric Attanasio, John Dien, Christine Singh, Jaiveer Kessler, Emily A. Abdullah, Leena Shen, Jian Hunt, Brian G. Connolly, Kelli A. De Brouwer, Edward He, Jiaming Iyer, Nivedita R. Buck, Jessica Borr, Emily R. Damo, Martina Foster, Gena G. Giles, Josephine R. Huang, Yina H. Tsang, John S. Krishnaswamy, Smita Cui, Weiguo Joshi, Nikhil S. Department of Immunobiology Yale University School of Medicine New Haven CT United States Program in Computational Biology & Bioinformatics Yale University New Haven CT United States Department of Microbiology and Immunology Geisel School of Medicine at Dartmouth NH United States Department of Pathology Feinberg School of Medicine at Northwestern University Chicago IL United States Department of Genetics and Computer Science Yale University School of Medicine New Haven CT United States Department of Medicine University of Chicago Chicago IL United States Section of Hematology Department of Internal Medicine Yale University School of Medicine New Haven CT United States Department of Systems Pharmacology and Translational Therapeutics University of Pennsylvania Philadelphia PA United States Institute for Immunology Perelman School of Medicine University of Pennsylvania Philadelphia PA United States Parker Institute for Cancer Immunotherapy Perelman School of Medicine University of Pennsylvania Philadelphia PA United States Yale Center for Systems and Engineering Immunology Yale University School of Medicine New Haven CT United States New Haven CT United States Department of Biomedical Engineering Yale University New Haven CT United States Computational Biology and Bioinformatics Program Yale University CT USA New Haven United States Applied Math Program Yale University New Haven CT United States

Naïve CD8 T cells have the potential to differentiate into a spectrum of functional states during an immune response. How these developmental decisions are made and what mechanisms exist to suppress differentiation toward alternative fates remains unclear. We employed in vivo CRISPR-Cas9-based perturbation sequencing to assess the role of ~40 transcription factors (TFs) and epigenetic modulators in T cell fate decisions. Unexpectedly, we found that knockout of the TF Klf2 resulted in aberrant differentiation to exhausted-like CD8 T cells during acute infection. KLF2 was required to suppress the exhaustion-promoting TF TOX and to enable the TF TBET to drive effector differentiation. KLF2 was also necessary to maintain a polyfunctional tumor-specific progenitor state. Thus, KLF2 provides effector CD8 T cell lineage fidelity and suppresses the exhaustion program.

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