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Protein sequences serve as a natural record of the evolutionary constraints that shape their functional structures. We show that it is possible to use only sequence information to go beyond predicting native structures and global stability…

Biomolecules · Quantitative Biology 2025-07-02 Ezequiel A. Galpern , Ernesto A. Roman , Diego U. Ferreiro

Many signalling functions in molecular biology require proteins bind to substrates such as DNA in response to environmental signals such as the simultaneous binding to a small molecule. Examples are repressor proteins which may transmit…

Biomolecules · Quantitative Biology 2009-11-10 Rhoda J. Hawkins , Thomas C. B. McLeish

Transcription factors are proteins that regulate the expression of genes by binding to specific genomic regions known as Transcription Factor Binding Sites (TFBSs), typically located in the promoter regions of those genes. Accurate…

Machine Learning · Computer Science 2025-02-04 Nimisha Ghosh , Pratik Dutta , Daniele Santoni

The notion that transcription factors bind DNA only through specific, consensus binding sites has been recently questioned. In a pioneering study by Pugh and Venters no specific consensus motif for the positioning of the human…

Biomolecules · Quantitative Biology 2017-06-28 Matan Goldshtein , David B. Lukatsky

Post-transductional modifications tune the functions of proteins and regulate the collective dynamics of biochemical networks that determine how cells respond to environmental signals. For example, protein phosphorylation and nitrosylation…

Cell Behavior · Quantitative Biology 2009-11-13 Roberto Chignola , Chiara Dalla Pellegrina , Alessio Del Fabbro , Edoardo Milotti

The DNA molecule, apart from carrying the genetic information, plays a crucial role in a variety of biological processes and find applications in drug design, nanotechnology and nanoelectronics. The molecule undergoes significant structural…

Knotted proteins embed a physical (i.e., open) knot within their native structures. For decades, significant effort has been devoted to elucidating the functional role of knots in proteins, yet no consensus has been reached. Here, using…

Biomolecules · Quantitative Biology 2026-03-13 João NC Especial , Patrícia FN Faísca

Transcription factors (TFs) interact with a multitude of binding sites on DNA and partner proteins inside cells. We investigate how nonspecific binding/unbinding to such decoy binding sites affects the magnitude and time-scale of random…

Subcellular Processes · Quantitative Biology 2015-04-15 Mohammad Soltani , Pavol Bokes , Zachary Fox , Abhyudai Singh

Found in all eukaryotic cells, linker histones H1 are known to bind to and rearrange nucleosomal linker DNA. In vitro, the fundamental nature of H1/DNA interactions has attracted wide interest among research communities - for biologists…

Biological Physics · Physics 2010-08-12 Rolf Dootz , Adriana Cristina Toma , Thomas Pfohl

Experiments indicate that unbinding rates of proteins from DNA can depend on the concentration of proteins in nearby solution. Here we present a theory of multi-step replacement of DNA-bound proteins by solution-phase proteins. For four…

Biomolecules · Quantitative Biology 2015-06-19 Simona Cocco , John F. Marko , Remi Monasson

There is growing appreciation that gene function is connected to the dynamic structure of the chromosome. Here we explore the interplay between three-dimensional structure and transcriptional activity at the single cell level. We show that…

Molecular Networks · Quantitative Biology 2021-01-01 Lev Barinov , Sergey Ryabichko , William Bialek , Thomas Gregor

We investigate a densely packed, non-random arrangement of forty-six chromosomes (46,XY) in human nuclei. Here, we model systems-level chromosomal crosstalk by unifying intrinsic parameters (chromosomal length and number of genes) across…

Genomics · Quantitative Biology 2017-11-09 Sarosh N. Fatakia , Ishita S. Mehta , Basuthkar J. Rao

The promise of discovering a functional blueprint of a cellular system from large-scale and high-throughput sequence and experimental data is predicated on the belief that the same top-down investigative approach that proved successful in…

Molecular Networks · Quantitative Biology 2007-05-23 Riccardo Boscolo , Behnam A. Rezaei , P. Oscar Boykin , Vwani P. Roychowdhury

Emerging evidence suggests that the introns and intergenic sequences of the genomes of higher eukaryotes (the ``junk'' DNA) codes for a vast, RNA-based, genetic regulatory network. It is believed that this network is responsible for the…

Molecular Networks · Quantitative Biology 2007-05-23 Emmanuel Tannenbaum

Topology affects physical and biological properties of DNA and impacts fundamental cellular processes, such as gene expression, genome replication, chromosome structure and segregation. In all organisms DNA topology is carefully modulated…

Biomolecules · Quantitative Biology 2019-03-27 P. Bettotti , V. Visone , L. Lunelli , G. Perugino , M. Ciaramella , A. Valenti

Models of transcriptional regulation that assume equilibrium binding of transcription factors have been very successful at predicting gene expression from sequence in bacteria. However, analogous equilibrium models do not perform as well in…

Molecular Networks · Quantitative Biology 2021-10-14 Benjamin Zoller , Thomas Gregor , Gašper Tkačik

Quantum transport for DNA conduction has widely studied with interest in application as a candidate in making nanowires as well as interest in the scientific mechanism. In this paper, we review recent works with concerning the electronic…

Disordered Systems and Neural Networks · Physics 2015-03-13 Hiroaki Yamada , Kazumoto Iguchi

Parts of DNA sequences known as exons and introns play very different role in coding and storage of genetic information. Here we show that their conducting properties are also very different. Taking into account long-range correlations…

Soft Condensed Matter · Physics 2015-05-14 A. A. Krokhin , V. M. K. Bagci , F. M. Izrailev , O. V. Usatenko , V. A. Yampol'skii

We propose a stochastic model for gene transcription coupled to DNA supercoiling, where we incorporate the experimental observation that polymerases create supercoiling as they unwind the DNA helix, and that these enzymes bind more…

Biological Physics · Physics 2018-04-16 C. A. Brackley , J. Johnson , A. Bentivoglio , S. Corless , N. Gilbert , G. Gonnella , D. Marenduzzo

Proteins are macromolecules responsible for essential functions in almost all living organisms. Designing reasonable proteins with desired functions is crucial. A protein's sequence and structure are strongly correlated and they together…

Machine Learning · Computer Science 2024-01-10 Zhenqiao Song , Yunlong Zhao , Wenxian Shi , Yang Yang , Lei Li