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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 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

In this paper we study properties of topological RNA structures, i.e.~RNA contact structures with cross-serial interactions that are filtered by their topological genus. RNA secondary structures within this framework are topological…

Combinatorics · Mathematics 2016-06-23 Thomas J. X. Li , Christian M. Reidys

Recent studies reveal even the smallest genomes such as viruses evolve through complex and stochastic processes, and the assumption of independent alleles is not valid in most applications. Advances in sequencing technologies produce…

Populations and Evolution · Quantitative Biology 2017-10-30 Hyunjin Shim

We review the basic concepts and tools for mechanically unzipping RNA hairpins using force spectroscopy. By pulling apart the ends of an RNA molecule using optical tweezers, it is possible to measure the folding free energy at varying…

Soft Condensed Matter · Physics 2023-03-27 Paolo Rissone , Isabel Pastor , Felix Ritort

The branching of an RNA molecule is an important structural characteristic yet difficult to predict correctly, especially for longer sequences. Using plane trees as a combinatorial model for RNA folding, we consider the thermodynamic cost,…

Biomolecules · Quantitative Biology 2023-03-23 Christine Heitsch , Chi N. Y. Huynh , Greg Johnston

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

RNA forms elaborate secondary structures through intramolecular base pairing. These structures perform critical biological functions within each cell. Due to the availability of a polynomial algorithm to calculate the partition function…

Biomolecules · Quantitative Biology 2019-03-04 William D. Baez , Kay Jörg Wiese , Ralf Bundschuh

The translocation of structured RNA or DNA molecules through narrow pores necessitates the opening of all base pairs. Here, we study the interplay between the dynamics of translocation and base-pairing theoretically, using kinetic Monte…

Biomolecules · Quantitative Biology 2009-11-11 Ralf Bundschuh , Ulrich Gerland

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

We present a novel topological classification of RNA secondary structures with pseudoknots. It is based on the topological genus of the circular diagram associated to the RNA base-pair structure. The genus is a positive integer number,…

Biomolecules · Quantitative Biology 2007-05-23 Michael Bon , Graziano Vernizzi , Henri Orland , A. Zee

A theory is presented for the binding of small molecules such as surfactants to semiflexible polymers. The persistence length is assumed to be large compared to the monomer size but much smaller than the total chain length. Such polymers…

Soft Condensed Matter · Physics 2009-09-25 Haim Diamant , David Andelman

Just like atoms combine into molecules, colloids can self-organize into predetermined structures according to a set of design principles. Controlling valence -- the number of inter-particle bonds -- is a prerequisite for the assembly of…

Soft Condensed Matter · Physics 2022-01-05 Angus McMullen , Sascha Hilgenfeldt , Jasna Brujic

Previous numerical investigations of an one-dimensional DNA model with an extended modified coupling constant by transcripting enzyme are integrated to longer time and demonstrated explicitly the trapping of breathers by DNA chains with…

solv-int · Physics 2021-01-21 Julian Juhi-Lian Ting

Reducing the complexity of cross-linked polymer networks by preserving their main macroscale properties, is key to understanding them, and a crucial issue is to relate individual properties of the polymer constituents to those of the…

Soft Condensed Matter · Physics 2018-03-21 Salim R. Maduar , Taras Y. Molotilin , Olga I. Vinogradova

Biomolecular phase separation is typically attributed to the polymer physics of long, disordered chains. However, the underlying chemical grammar, i.e. the specific interactions between protein and RNA building blocks, remains poorly…

Biological Physics · Physics 2026-04-21 Greta Grassmann , Giancarlo Ruocco , Mattia Miotto

The increasing importance of RNA as a prime player in biology can hardly be overstated. Problems in RNA, such as folding and RNA-RNA interactions that drive phase separation, require cations. Because experiments alone cannot reveal the…

Biomolecules · Quantitative Biology 2025-06-10 D. Thirumalai , Naoto Hori , Hung T. Nguyen

Transcriptional activity has been shown to relate to the organization of chromosomes in the eukaryotic nucleus and in the bacterial nucleoid. In particular, highly transcribed genes, RNA polymerases and transcription factors gather into…

Biological Physics · Physics 2010-05-11 Ivan Junier , Olivier Martin , François Képès

RNA/protein interactions play crucial roles in controlling gene expression. They are becoming important targets for pharmaceutical applications. Due to RNA flexibility and to the strength of electrostatic interactions, standard docking…

Biomolecules · Quantitative Biology 2013-07-23 Trang N. Do , Paolo Carloni , Gabriele Varani , Giovanni Bussi

In the study of life's origins, a key challenge is understanding how RNA could have polymerized and subsequently replicated in early Earth. We present a theoretical and computational framework to model the non-enzymatic polymerization of…

Biomolecules · Quantitative Biology 2025-09-16 Carla Alejandre , Adrián Aguirre-Tamaral , Carlos Briones , Jacobo Aguirre