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RNA function is intimately related to its structural dynamics. Molecular dynamics simulations are useful for exploring biomolecular flexibility but are severely limited by the accessible timescale. Enhanced sampling methods allow this…

Biomolecules · Quantitative Biology 2018-02-06 Vojtěch Mlýnský , Giovanni Bussi

The knowledge of cell molecular mechanisms implicated in human diseases is expanding and should be converted into guidelines for deciphering pathological cell signaling and suggesting appropriate treatment. The basic assumption is that…

Molecular Networks · Quantitative Biology 2015-12-17 Inna Kuperstein

Single-cell RNA sequencing (scRNA-seq) provides a high throughput, quantitative and unbiased framework for scientists in many research fields to identify and characterize cell types within heterogeneous cell populations from various…

Quantitative Methods · Quantitative Biology 2022-09-28 Yeganeh Madadi , Aboozar Monavarfeshani , Hao Chen , W. Daniel Stamer , Robert W. Williams , Siamak Yousefi

This dissertation explores the application of machine learning in molecular biology, focusing on gene expression regulation and cellular behavior at the single-cell level. Using modern neural networks, the research addresses key challenges…

Quantitative Methods · Quantitative Biology 2024-10-01 Yongjian Yang

DNA looping plays a fundamental role in a wide variety of biological processes, providing the backbone for long range interactions on DNA. Here we develop the first model for DNA looping by an arbitrarily large number of proteins and solve…

Subcellular Processes · Quantitative Biology 2007-05-23 Jose M. G. Vilar , Leonor Saiz

Cell tracking is a key computational task in live-cell microscopy, but fully automated analysis of high-throughput imaging requires reliable and, thus, uncertainty-aware data analysis tools, as the amount of data recorded within a single…

Computer Vision and Pattern Recognition · Computer Science 2025-03-13 Richard D. Paul , Johannes Seiffarth , David Rügamer , Hanno Scharr , Katharina Nöh

Although RNAs play many cellular functions little is known about the dynamics and thermodynamics of these molecules. In principle, all-atom molecular dynamics simulations can investigate these issues, but with current computer facilities,…

Biomolecules · Quantitative Biology 2013-01-22 Tristan Cragnolini , Philippe Derreumaux , Samuela Pasquali

In this paper, we propose the Neural Knowledge DNA, a framework that tailors the ideas underlying the success of neural networks to the scope of knowledge representation. Knowledge representation is a fundamental field that dedicate to…

Artificial Intelligence · Computer Science 2016-03-01 Haoxi Zhang , Cesar Sanin , Edward Szczerbicki

RNA is a fundamental class of biomolecules that mediate a large variety of molecular processes within the cell. Computational algorithms can be of great help in the understanding of RNA structure-function relationship. One of the main…

Biomolecules · Quantitative Biology 2015-02-20 Sandro Bottaro , Francesco Di Palma , Giovanni Bussi

Changes in gene expression occurring during differentiation of human monocytes into dendritic cells were studied at the RNA and protein levels. These studies showed the induction of several gene classes corresponding to various biological…

Understanding functional organization of genetic information is a major challenge in modern biology. Following the initial publication of the human genome sequence in 2001, advances in high-throughput measurement technologies and efficient…

Machine Learning · Statistics 2011-03-01 Leo Lahti

The subcellular localization of RNAs, including long non-coding RNAs (lncRNAs), messenger RNAs (mRNAs), microRNAs (miRNAs) and other smaller RNAs, plays a critical role in determining their biological functions. For instance, lncRNAs are…

Computer Vision and Pattern Recognition · Computer Science 2025-04-25 Cece Zhang , Xuehuan Zhu , Nick Peterson , Jieqiong Wang , Shibiao Wan

Molecular recognition between two double stranded (ds) DNA with homologous sequences may not seem compatible with the B-DNA structure because the sequence information is hidden when it is used for joining the two strands. Nevertheless, it…

Biomolecules · Quantitative Biology 2016-04-20 Alexey K. Mazur

The structural flexibility of nucleic acids plays a key role in many fundamental life processes, such as gene replication and expression, DNA-protein recognition, and gene regulation. To obtain a thorough understanding of nucleic acid…

Biological Physics · Physics 2015-09-24 Lei Bao , Xi Zhang , Lei Jin , Zhi-Jie Tan

We consider the task of detecting regulatory elements in the human genome directly from raw DNA. Past work has focused on small snippets of DNA, making it difficult to model long-distance dependencies that arise from DNA's 3-dimensional…

Genomics · Quantitative Biology 2017-10-04 Ankit Gupta , Alexander M. Rush

Genes communicate with each other through different regulatory effects, which lead to the emergence of complex structures in cells, and such structures are expected to be different for normal and cancerous cells. To study breast cancer…

Molecular Networks · Quantitative Biology 2020-10-13 Abbas Karimi Rizi , Mina Zamani , Amirhossein Shirazi , G. Reza Jafari , János Kertész

In recent years, the advances in single-cell RNA-seq techniques have enabled us to perform large-scale transcriptomic profiling at single-cell resolution in a high-throughput manner. Unsupervised learning such as data clustering has become…

Genomics · Quantitative Biology 2020-01-07 Shixiong Zhang , Xiangtao Li , Qiuzhen Lin , Ka-Chun Wong

Electronic properties of DNA are believed to play a crucial role in many phenomena in living organisms, for example the location of DNA lesions by base excision repair (BER) glycosylases and the regulation of tumor-suppressor genes such as…

Other Quantitative Biology · Quantitative Biology 2012-02-21 Chi-Tin Shih , Stephen A. Wells , Ching-Ling Hsu , Yun-Yin Cheng , Rudolf A. Römer

Modern high-throughput gene perturbation screens are key technologies at the forefront of genetic research. Combined with rich phenotypic descriptors they enable researchers to observe detailed cellular reactions to experimental…

Molecular Networks · Quantitative Biology 2010-10-08 Florian Markowetz

A cell's behavior is a consequence of the complex interactions between its numerous constituents, such as DNA, RNA, proteins and small molecules. Cells use signaling pathways and regulatory mechanisms to coordinate multiple processes,…

Molecular Networks · Quantitative Biology 2007-09-12 Reka Albert