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The dynamics of a folded protein is studied in water and glycerol at a series of temperatures below and above their respective dynamical transition. The system is modeled in two distinct states whereby the protein is decoupled from the bulk…

Soft Condensed Matter · Physics 2008-09-23 C. Atilgan , A. O. Aykut , A. R. Atilgan

For the vast majority of naturally occurring, small, single domain proteins folding is often described as a two-state process that lacks detectable intermediates. This observation has often been rationalized on the basis of a nucleation…

Biomolecules · Quantitative Biology 2007-07-09 R. D. M. Travasso , P. F. N. Faisca , M. M. Telo da Gama

Proteins are the "work horses" in biological systems. In almost all functions specific proteins are involved. They control molecular transport processes, stabilize the cell structure, enzymatically catalyze chemical reactions; others act as…

Statistical Mechanics · Physics 2009-02-18 Michael Bachmann , Wolfhard Janke

We review the background, theory and general equations for the analysis of equilibrium protein unfolding experiments, focusing on denaturant and heat-induced unfolding. The primary focus is on the thermodynamics of reversible…

Biological Physics · Physics 2020-12-23 Kresten Lindorff-Larsen , Kaare Teilum

Mechanical unfolding of RNA structures, ranging from hairpins to ribozymes, using laser optical tweezer (LOT) experiments have begun to reveal the features of the energy landscape that cannot be easily explored using conventional…

Biomolecules · Quantitative Biology 2009-11-13 Changbong Hyeon , D. Thirumalai

Intrinsic transcriptional noise induced by operator fluctuations is investigated with a simple spin like stochastic model. The effects of transcriptional fluctuations in protein synthesis is probed by coupling transcription and translation…

Other Quantitative Biology · Quantitative Biology 2007-05-23 Guilherme da C. P. Innocentini , Jose E. M. Hornos

Brownian motion of single particles with various masses M and diameters D is studied by molecular dynamics simulations. Besides the momentum auto-correlation function of the Brownian particle the memory function and the fluctuating force…

Chemical Physics · Physics 2015-05-20 Hyun Kyung Shin , Changho Kim , Peter Talkner , Eok Kyun Lee

We introduce a model of thermalized conformations in space of RNA -or single stranded DNA- molecules, which includes the possibility of hairpin formation. This model contains the usual secondary structure information, but extends it to the…

Soft Condensed Matter · Physics 2007-05-23 Andrea Montanari , Marc Mezard

Extensive Monte Carlo folding simulations for four proteins of various structural classes are carried out, using a single atomistic potential. In all cases, collapse occurs at a very early stage, and proteins fold into their native-like…

Statistical Mechanics · Physics 2009-11-10 Seung-Yeon Kim , Julian Lee , Jooyoung Lee

The transport of molecules through biological and synthetic nanopores is governed by multiple stochastic processes that lead to noisy, fluctuating currents. Disentangling the characteristics of different noise-generating mechanisms is…

Soft Condensed Matter · Physics 2024-10-03 Stuart F. Knowles , Eleanor K. R. Mackay , Alice L. Thorneywork

A model system inspired by recent experiments on the dynamics of a folded protein under the influence of a sinusoidal force is investigated and found to replicate many of the response characteristics of such a system. The essence of the…

Soft Condensed Matter · Physics 2015-09-30 Craig Fogle , Joseph Rudnick , David Jasnow

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

Observation of the Brownian motion of a small probe interacting with its environment is one of the main strategies to characterize soft matter. Essentially two counteracting forces govern the motion of the Brownian particle. First, the…

Soft Condensed Matter · Physics 2011-08-18 Thomas Franosch , Matthias Grimm , Maxim Belushkin , Flavio Mor , Giuseppe Foffi , László Forró , Sylvia Jeney

Time-resolved single-molecule biophysical experiments yield data that contain a wealth of dynamic information, in addition to the equilibrium distributions derived from histograms of the time series. In typical force spectroscopic setups…

Biomolecules · Quantitative Biology 2011-07-14 Michael Hinczewski , Yann von Hansen , Roland R. Netz

When described by a low-dimensional reaction coordinate, the rates of protein folding are determined by a subtle interplay between free-energy barriers and friction. While it is commonplace to extract free-energy profiles from molecular…

Soft Condensed Matter · Physics 2022-10-24 Benjamin A. Dalton , Cihan Ayaz , Lucas Tepper , Roland R. Netz

We discuss general thermodynamic properties of molecular structure formation processes like protein folding by means of simplified, coarse-grained models. The conformational transitions accompanying these processes exhibit similarities to…

Soft Condensed Matter · Physics 2011-07-04 Michael Bachmann

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

We review theoretical approaches, experiments and numerical simulations that have been recently proposed to investigate the folding problem in single-domain proteins. From a theoretical point of view, we emphasize the energy landscape…

Biological Physics · Physics 2008-10-20 Ivan Junier , Felix Ritort

DNA cyclization is a powerful technique to gain insight into the nature of DNA bending. The worm-like chain model provides a good description of small to moderate bending fluctuations, but some experiments on strongly-bent shorter molecules…

Biomolecules · Quantitative Biology 2021-12-03 Ryan M. Harrison , Flavio Romano , Thomas E. Ouldridge , Ard A. Louis , Jonathan P. K. Doye

We computationally study suspensions of slow and fast active Brownian particles that have undergone motility induced phase separation and are at steady state. Such mixtures, of varying non-zero activity, remain largely unexplored even…

Soft Condensed Matter · Physics 2024-07-11 Nicholas J Lauersdorf , Ehssan Nazockdast , Daphne Klotsa
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