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Single molecule force spectroscopy methods can be used to generate folding trajectories of biopolymers from arbitrary regions of the folding landscape. We illustrate the complexity of the folding kinetics and generic aspects of the collapse…

Biological Physics · Physics 2015-05-14 Changbong Hyeon , Greg Morrison , David L. Pincus , D. Thirumalai

Ribonucleic Acid (RNA) can fold into shapes that perform functions in the cell. These foldings are governed by Watson-Crick base pairing, namely Adenine to Uracil and Cytosine to Guanine (A-U and G-C). The properties of the H-P…

Combinatorics · Mathematics 2018-12-18 Ben Y. Maron

A double stranded DNA molecule under the stress of a pulling force acting on the strand terminals exhibits a partially denatured structure or can be completely unzipped depending the magnitude of the pulling force. A scaling argument for…

Statistical Mechanics · Physics 2009-09-25 Jeff Z. Y. Chen

The experimental measurement of correlation functions and critical exponents in disordered systems is key to testing renormalization group (RG) predictions. We mechanically unzip single DNA hairpins with optical tweezers, an experimental…

Disordered Systems and Neural Networks · Physics 2023-05-31 Cathelijne ter Burg , Paolo Rissone , Marc Rico-Pasto , Felix Ritort , Kay Joerg Wiese

Living systems rely on coordinated molecular interactions, especially those related to gene expression and protein activity. The Unfolded Protein Response is a crucial mechanism in eukaryotic cells, activated when unfolded proteins exceed a…

Using all atom molecular dynamics simulations, we report spontaneous unzipping and strong binding of small interfering RNA (siRNA) on graphene. Our dispersion corrected density functional theory based calculations suggest that nucleosides…

RNA design shows growing applications in synthetic biology and therapeutics, driven by the crucial role of RNA in various biological processes. A fundamental challenge is to find functional RNA sequences that satisfy given structural…

Biomolecules · Quantitative Biology 2024-04-18 Han Huang , Ziqian Lin , Dongchen He , Liang Hong , Yu Li

We employ simulations of model proteins to study folding on rugged energy landscapes. We construct ``first-passage'' networks as the system transitions from unfolded to native states. The nodes and bonds in these networks correspond to…

Soft Condensed Matter · Physics 2015-05-13 Gregg Lois , J. Blawzdziewicz , Corey S. O'Hern

The forming and melting of complementary base pairs in RNA duplexes are conformational transitions required to accomplish a plethora of biological functions. Yet the dynamic steps of these transitions have not been quantitatively…

Biological Physics · Physics 2012-03-28 Francesco Colizzi , Giovanni Bussi

Conformational dynamics is crucial for ribonucleic acid (RNA) function. Techniques such as nuclear magnetic resonance, cryo-electron microscopy, small- and wide-angle X-ray scattering, chemical probing, single-molecule F\"orster resonance…

Biomolecules · Quantitative Biology 2025-01-31 Mattia Bernetti , Giovanni Bussi

We present a simplified model of the dynamics of translocation of RNA through a nanopore which only allows the passage of unbound nucleotides. In particular, we consider the disorder averaged translocation dynamics of random, two-component,…

Biomolecules · Quantitative Biology 2007-05-23 J. B. Lucks , Y. Kafri

Protein molecules in cells are synthesized by macromolecular machines called ribosomes. According to recent experimental data, we reduce the complexity of the ribosome and propose a model to express its activity in six main states. Using…

Subcellular Processes · Quantitative Biology 2016-07-26 Bahareh Shakiba , Maryam Dayeri , Farshid Mohammad-Rafiee

Motivation: Measurements of gene expression over time enable the reconstruction of transcriptional networks. However, Bayesian networks and many other current reconstruction methods rely on assumptions that conflict with the differential…

Molecular Networks · Quantitative Biology 2009-07-02 D. R. Bickel , Z. Montazeri , P. -C. Hsieh , M. Beatty , S. J. Lawit , N. J. Bate

As a consequence of the rugged landscape of RNA molecules their folding is described by the kinetic partitioning mechanism according to which only a small fraction ($\phi_F$) reaches the folded state while the remaining fraction of…

Biomolecules · Quantitative Biology 2017-01-24 Changbong Hyeon , D. Thirumalai

Constructing gene regulatory networks is a fundamental task in systems biology. We introduce a Gaussian reciprocal graphical model for inference about gene regulatory relationships by integrating mRNA gene expression and DNA level…

Methodology · Statistics 2016-07-26 Yang Ni , Yuan Ji , Peter Mueller

Nested sampling is a Bayesian sampling technique developed to explore probability distributions lo- calised in an exponentially small area of the parameter space. The algorithm provides both posterior samples and an estimate of the evidence…

Biomolecules · Quantitative Biology 2015-03-17 Nikolas S. Burkoff , Csilla Varnai , Stephen A. Wells , David L. Wild

RNA co-transcriptional folding has long been suspected to play an active role in helping proper native folding of ribozymes and structured regulatory motifs in mRNA untranslated regions. Yet, the underlying mechanisms and coding…

Biomolecules · Quantitative Biology 2007-05-23 A. Xayaphoummine , V. Viasnoff , S. Harlepp , H. Isambert

Predicting the secondary structure of RNA is a core challenge in computational biology, essential for understanding molecular function and designing novel therapeutics. The field has evolved from foundational but accuracy-limited…

Biomolecules · Quantitative Biology 2026-05-20 Giuseppe Sacco , Giovanni Bussi , Guido Sanguinetti

We present an extensive theoretical investigation of the mechanical unzipping of double-stranded DNA under the influence of an applied force. In the limit of long polymers, there is a thermodynamic unzipping transition at a critical force…

Soft Condensed Matter · Physics 2009-11-07 David K. Lubensky , David R. Nelson

We study plane trees as a model for RNA secondary structure, assigning energy to each tree based on the Nearest Neighbor Thermodynamic Model, and defining a corresponding Gibbs distribution on the trees. Through a bijection between plane…

Combinatorics · Mathematics 2020-04-03 Anna Kirkpatrick , Kalen Patton
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