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In contrast to proteins much less attention has been focused on development of computational models for describing RNA molecules, which are being recognized as playing key roles in many cellular functions. Current atomically detailed force…

Biomolecules · Quantitative Biology 2014-02-28 Changbong Hyeon , Natalia A. Denesyuk , D. Thirumalai

Formation of a pseudoknot in the conserved RNA core domain in the ribonucleoprotein human telomerase is required for function. In vitro experiments show that the pseudoknot (PK) is in equilibrium with an extended hairpin (HP) structure. We…

Biomolecules · Quantitative Biology 2011-08-09 Natalia A. Denesyuk , D. Thirumalai

Experimental evidences show that in gene transcription, RNA polymerase has the possibility to be stalled at certain position of the transcription template. This may be due to the template damage, or protein barriers. Once stalled,…

Biological Physics · Physics 2015-02-10 Jingwei Li , Yunxin Zhang

A chemical kinetic model of the elongation dynamics of RNA polymerase along a DNA sequence is introduced. The proposed model governs the discrete movement of the RNA polymerase along a DNA template, with no consideration given to elastic…

Biomolecules · Quantitative Biology 2007-05-23 Yujiro Richard Yamada , Charles S. Peskin

Polymerases are protein enzymes that move along nucleic acid chains and catalyze template-based polymerization reactions during gene transcription and replication. The polymerases also substantially improve transcription or replication…

Biological Physics · Physics 2017-01-19 Jin Yu

Protein synthesis is one of the most fundamental biological processes, which consumes a significant amount of cellular resources. Despite existence of multiple mathematical models of translation, varying in the level of mechanistical…

Molecular Networks · Quantitative Biology 2021-01-06 Alexander N. Gorban , Annick Harel-Bellan , Nadya Morozova , Andrei Zinovyev

DNA polymerases are an essential class of enzymes or molecular motors that catalyze processive DNA syntheses during DNA replications. A critical issue for DNA polymerases is their molecular mechanism of processive DNA replication. We have…

Soft Condensed Matter · Physics 2021-11-01 Yu-Ru Liu , Peng-Ye Wang , Wei Li , Ping Xie

A simple model for the force-dependent unwinding and rewinding rates of the nucleosome inner turn is constructed and quantitatively compared to the results of recent measurements [A. H. Mack et al., J. Mol. Biol. 423, 687 (2012)]. First, a…

Biomolecules · Quantitative Biology 2015-06-11 S. G. J. Mochrie , A. H. Mack , D. J. Schlingman , R. Collins , M. Kamenetska , L. Regan

The folding of RNA and DNA strands plays crucial roles in biological systems and bionanotechnology. However, studying these processes with high-resolution numerical models is beyond current computational capabilities due to the timescales…

Soft Condensed Matter · Physics 2024-02-07 F. Tosti Guerra , E. Poppleton , P. Šulc , L. Rovigatti

Telomeres, the nucleoprotein complexes at the termini of linear chromosomes, are essential for the processes of end replication, end-protection, and chromatin segregation. The Mre11 complex is involved in multiple cellular roles in DNA…

Subcellular Processes · Quantitative Biology 2018-05-01 In Joon Baek , Daniel S. Moss , Arthur J. Lustig

The in vitro transcription reaction (IVT) is of growing importance for the manufacture of RNA vaccines and therapeutics. While the kinetics of the microscopic steps of this reaction (promoter binding, initiation, and elongation) are well…

Recent whole genome polymerase binding assays have shown that a large proportion of unexpressed genes have pre-assembled RNA pol II transcription initiation complex stably bound to their promoters. Some such promoter proximally paused genes…

Molecular Networks · Quantitative Biology 2015-03-19 Alistair N. Boettiger , Peter L. Ralph , Steven N. Evans

Transcription is one of the essential processes for cells to read genetic information encoded in genes, which is initiated by the binding of RNA polymerase to related promoter. Experiments have found that the nucleotide sequence of promoter…

Genomics · Quantitative Biology 2015-03-13 Jingwei Li , Yunxin Zhang

We report on microscopic calculations for the 4He compound system in the framework of the resonating group model employing realistic nucleon-nucleon and three nucleon forces. The resulting scattering phase shifts are compared to those of a…

Nuclear Theory · Physics 2008-11-26 Hartmut M. Hofmann , Gerald M. Hale

Transcriptional noise, or heterogeneity, is important in cellular development and in disease. The molecular mechanisms driving it are, however, elusive and ill-understood. Here, we use computer simulations to explore the role of 3D…

Biological Physics · Physics 2025-10-13 Michael Chiang , Cleis Battaglia , Giada Forte , Chris A. Brackley , Nick Gilbert , Davide Marenduzzo

Telomeres, the nucleoprotein complexes at the termini of linear chromosomes, are essential for the processes of end replication, end protection, and chromatin segregation. The Mre11 complex is involved in multiple cellular roles in DNA…

Subcellular Processes · Quantitative Biology 2018-05-01 In-Joon Baek , Daniel S Moss , Arthur J Lustig

Kinetic theory and thermodynamics are applied to DNA polymerases with exonuclease activity, taking into account the dependence of the rates on the previously incorportated nucleotide. The replication fidelity is shown to increase…

Subcellular Processes · Quantitative Biology 2018-01-04 Pierre Gaspard

Using self-organized polymer models, we predict mechanical unfolding and refolding pathways of ribo-zymes, and the green fluorescent protein. In agreement with experiments, there are between six and eight unfolding transitions in the…

Biomolecules · Quantitative Biology 2007-05-23 Changbong Hyeon , Ruxandra I Dima , D. Thirumalai

Both genomic stability and sustenance of day-to-day life rely on efficient and accurate readout of the genetic code. Single-molecule experiments show that transcription and replication are highly stochastic and irregular processes, with the…

Biomolecules · Quantitative Biology 2012-01-26 Martin Depken , Juan M. R. Parrondo , Stephan W. Gril

The mechanical unfolding of a simple RNA hairpin and of a 236--bases portion of the Tetrahymena thermophila ribozyme is studied by means of an Ising--like model. Phase diagrams and free energy landscapes are computed exactly and suggest a…

Soft Condensed Matter · Physics 2009-11-05 A. Imparato , A. Pelizzola , M. Zamparo
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