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Because of the potential link between -1 programmed ribosomal frameshifting and response of a pseudoknot (PK) RNA to force, a number of single molecule pulling experiments have been performed on PKs to decipher the mechanism of programmed…

Biomolecules · Quantitative Biology 2016-06-22 Naoto Hori , Natalia A. Denesyuk , D. Thirumalai

Loops are essential secondary structure elements in folded DNA and RNA molecules and proliferate close to the melting transition. Using a theory for nucleic acid secondary structures that accounts for the logarithmic entropy c ln m for a…

Statistical Mechanics · Physics 2011-05-02 Thomas R. Einert , Henri Orland , Roland R. Netz

We study the folding of RNA secondary structures with quenched sequence randomness by means of the constrained annealing method. A thermodynamic phase transition is induced by including the conformational weight of loop structures. In…

Biological Physics · Physics 2020-02-05 Flavio Iannelli , Yevgeni Mamasakhlisov , Roland R. Netz

RNA folding is a kinetic process governed by the competition of a large number of structures stabilized by the transient formation of base pairs that may induce complex folding pathways and the formation of misfolded structures. Despite of…

Biological Physics · Physics 2009-03-16 M. Manosas , I. Junier , F. Ritort

We describe quantitatively a RNA molecule under the influence of an external force exerted at its two ends as in a typical single-molecule experiment. Our calculation incorporates the interactions between nucleotides by using the…

Soft Condensed Matter · Physics 2009-11-07 Ulrich Gerland , Ralf Bundschuh , Terence Hwa

We formulate the RNA folding problem as an $N\times N$ matrix field theory. This matrix formalism allows us to give a systematic classification of the terms in the partition function according to their topological character. The theory is…

Statistical Mechanics · Physics 2009-11-07 H. Orland , A. Zee

Accurate knowledge of RNA hybridization is essential for understanding RNA structure and function. Here we mechanically unzip and rezip a 2-kbp RNA hairpin and derive the 10 nearest-neighbor base pair (NNBP) RNA free energies in sodium and…

Biomolecules · Quantitative Biology 2022-01-14 Paolo Rissone , Cristiano Valim Bizarro , Felix Ritort

We present a thermodynamically robust coarse-grained model to simulate folding of RNA in monovalent salt solutions. The model includes stacking, hydrogen bond and electrostatic interactions as fundamental components in describing the…

Biomolecules · Quantitative Biology 2013-04-16 Natalia A. Denesyuk , D. Thirumalai

The folding of biological macromolecules is a fundamental process of which we lack a full comprehension. Mostly studied in proteins and RNA, single-stranded DNA (ssDNA) also folds, at physiological salt conditions, by forming non-specific…

Soft Condensed Matter · Physics 2021-09-23 X. Viader Godoy , C. R. Pulido , B. Ibarra , M. Manosas , F. Ritort

To bridge the gap between the sequences and 3-dimensional (3D) structures of RNAs, some computational models have been proposed for predicting RNA 3D structures. However, the existed models seldom consider the conditions departing from the…

Biological Physics · Physics 2014-09-12 Ya-Zhou Shi , Feng-Hua Wang , Yuan-Yan Wu , Zhi-Jie Tan

Folding of RNA is subject to a competition between entropy, relevant at high temperatures, and the random, or random looking, sequence, determining the low- temperature phase. It is known from numerical simulations that for random as well…

Biomolecules · Quantitative Biology 2015-05-13 Francois David , Kay Joerg Wiese

We analyze the thermodynamic properties of a simplified model for folded RNA molecules recently studied by G. Vernizzi, H. Orland, A. Zee (in {\it Phys. Rev. Lett.} {\bf 94} (2005) 168103). The model consists of a chain of one-flavor base…

Biomolecules · Quantitative Biology 2009-11-13 Matias dell'Erba , Guillermo R. Zemba

Loops are abundant in native RNA structures and proliferate close to the unfolding transition. By including a statistical weight ~ l^{-c} for loops of length l in the recursion relation for the partition function, we show that the…

Soft Condensed Matter · Physics 2008-07-29 Thomas R. Einert , Paul Näger , Henri Orland , Roland R. Netz

We develop further a statistical model coupling denaturation and chain conformations in DNA (Palmeri J, Manghi M and Destainville N 2007 Phys. Rev. Lett. 99 088103). Our Discrete Helical Wormlike Chain model takes explicitly into account…

Soft Condensed Matter · Physics 2010-06-22 Manoel Manghi , John Palmeri , Nicolas Destainville

We investigated frictional effects on the folding rates of a human telomerase hairpin (hTR HP) and H-type pseudoknot from the Beet Western Yellow Virus (BWYV PK) using simulations of the Three Interaction Site (TIS) model for RNA. The heat…

Biomolecules · Quantitative Biology 2018-09-18 Naoto Hori , Natalia A. Denesyuk , D. Thirumalai

We discuss the physics of RNA as described by its secondary structure. We examine the static properties of a homogeneous RNA-model that includes pairing and base stacking energies as well as entropic costs for internal loops. For large…

Statistical Mechanics · Physics 2009-11-07 M. Mueller

RNA duplex stability depends strongly on ionic conditions, and inside cells RNAs are exposed to both monovalent and multivalent ions. Despite recent advances, we do not have general methods to quantitatively account for the effects of…

Biomolecules · Quantitative Biology 2013-07-02 C. V. Bizarro , A. Alemany , F. Ritort

RNA's diversity of structures and functions impacts all life forms since primordia. We use calorimetric force spectroscopy to investigate RNA folding landscapes in previously unexplored low-temperature conditions. We find that Watson-Crick…

Biomolecules · Quantitative Biology 2024-04-30 Paolo Rissone , Aurelien Severino , Isabel Pastor , Felix Ritort

Conformational entropy for atomic-level, three dimensional biomolecules is known experimentally to play an important role in protein-ligand discrimination, yet reliable computation of entropy remains a difficult problem. Here we describe…

Biomolecules · Quantitative Biology 2016-02-17 Juan Antonio Garcia-Martin , Peter Clote

We modify and extend the recently developed statistical mechanical model for predicting the thermodynamic properties of chain molecules having noncovalent double-stranded conformations, as in RNA or ssDNA, and $\beta-$sheets in protein, by…

Soft Condensed Matter · Physics 2009-11-07 Fei Liu , Luru Dai , Zhong-can Ou-Yang
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