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Understanding the three-dimensional (3D) structure of the genome is essential for elucidating vital biological processes and their links to human disease. To determine how the genome folds within the nucleus, chromosome conformation capture…

Chromatin is a polymer complex of DNA and proteins that regulates gene expression. The three-dimensional structure and organization of chromatin controls DNA transcription and replication. High-throughput chromatin conformation capture…

The three-dimensional organization of chromatin, on the length scale of a few genes, is crucial in determining the functional state - accessibility and the amount of gene expression - of the chromatin. Recent advances in chromosome…

Soft Condensed Matter · Physics 2021-07-16 K. Kumari , B. Duenweg , R. Padinhateeri , J. Ravi Prakash

The three dimensional structure of DNA in the nucleus (chromatin) plays an important role in many cellular processes. Recent experimental advances have led to high-throughput methods of capturing information about chromatin conformation on…

Genomics · Quantitative Biology 2015-11-05 Kevin Emmett , Benjamin Schweinhart , Raul Rabadan

Virtual screening can accelerate drug discovery by identifying promising candidates for experimental evaluation. Machine learning is a powerful method for screening, as it can learn complex structure-property relationships from experimental…

Machine Learning · Computer Science 2021-02-22 Simon Axelrod , Rafael Gomez-Bombarelli

The three-dimensional organisation of chromosomes can be probed using methods such as Capture-C. However it is unclear how such population level data relates to the organisation within a single cell, and the mechanisms leading to the…

Quantitative Methods · Quantitative Biology 2016-01-13 Chris A Brackley , Jill M Brown , Dominic Waithe , Christian Babbs , James Davies , Jim R Hughes , Veronica J Buckle , Davide Marenduzzo

The principles that govern the organization of genomes, which are needed for a deeper understanding of how chromosomes are packaged and function in eukaryotic cells, could be deciphered if the three-dimensional (3D) structures are known.…

Soft Condensed Matter · Physics 2023-03-22 Guang Shi , D. Thirumalai

The prediction of protein interactions (CPIs) is crucial for the in-silico screening step in drug discovery. Recently, many end-to-end representation learning methods using deep neural networks have achieved significantly better performance…

Quantitative Methods · Quantitative Biology 2020-11-30 Jingtao Wang , Xi Li , Hua Zhang

The folding structure of the DNA molecule combined with helper molecules, also referred to as the chromatin, is highly relevant for the functional properties of DNA. The chromatin structure is largely determined by the underlying primary…

Machine Learning · Computer Science 2018-06-14 Bojian Yin , Marleen Balvert , Davide Zambrano , Alexander Schönhuth , Sander Bohte

Network analysis is a powerful way of modeling chromatin interactions. Assortativity is a network property used in social sciences to identify factors affecting how people establish social ties. We propose a new approach, using chromatin…

Protein-protein interactions are fundamental to many biological processes. Experimental screens have identified tens of thousands of interactions and structural biology has provided detailed functional insight for select 3D protein…

Live-cell imaging experiments have shown that the distal dynamics between enhancers and promoters are unexpectedly rapid and incompatible with standard polymer models. The discordance between the compact static chromatin organization and…

Biological Physics · Physics 2025-06-24 Guang Shi , Sucheol Shin , D. Thirumalai

Computational methods that operate on three-dimensional molecular structure have the potential to solve important questions in biology and chemistry. In particular, deep neural networks have gained significant attention, but their…

Three-dimensional interphase organization of metazoan genomes has been linked to cellular identity. However, the principles governing 3D interphase genome architecture and its faithful transmission through disruptive events of cell-cycle,…

Subcellular Processes · Quantitative Biology 2016-04-12 Davide Michieletto , Davide Marenduzzo , Ajazul H. Wani

Enhancer-promoter interactions (EPIs) regulate the expression of specific genes in cells, and EPIs are important for understanding gene regulation, cell differentiation and disease mechanisms. EPI identification through the wet experiments…

Genomics · Quantitative Biology 2021-01-01 Shuai Liu , Xinran Xu , Zhihao Yang , Xiaohan Zhao , Wen Zhang

Recent advances and achievements of artificial intelligence (AI) as well as deep and graph learning models have established their usefulness in biomedical applications, especially in drug-drug interactions (DDIs). DDIs refer to a change in…

Predicting the 3D structure of a macromolecule, such as a protein or an RNA molecule, is ranked top among the most difficult and attractive problems in bioinformatics and computational biology. Its importance comes from the relationship…

Biomolecules · Quantitative Biology 2016-12-14 Zhiyong Wang

Chromosome organisation is increasingly recognised as an essential component of genome regulation, cell fate and cell health. Within the realm of transposable elements (TEs) however, the spatial information of how genomes are folded is…

Biological Physics · Physics 2019-11-01 Alexandros Bousios , Hans-Wilhelm Nuetzmann , Dorothy Buck , Davide Michieletto

Biological networks provide insight into the complex organization of biological processes in a cell at the system level. They are an effective tool for understanding the comprehensive map of functional interactions, finding the functional…

Molecular Networks · Quantitative Biology 2017-09-14 Somaye Hashemifar

Peptides play a pivotal role in a wide range of biological activities through participating in up to 40% protein-protein interactions in cellular processes. They also demonstrate remarkable specificity and efficacy, making them promising…

Biomolecules · Quantitative Biology 2024-02-09 Song Yin , Xuenan Mi , Diwakar Shukla
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