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The structures and energetics of organic molecules adsorbed onto clean and H-passivated Si(001)-(2$\times$1) surfaces have been calculated using density functional theory. For benzene adsorbed on the clean Si surface the tight-bridge…

Materials Science · Physics 2009-11-13 Karen Johnston , Risto M. Nieminen

An important step in transcription of a DNA base sequence to a protein is the initiation from the exact starting point, called promoter region. We propose a physical mechanism for identification of the promoter region, which relies on a new…

Statistical Mechanics · Physics 2015-05-19 Poulomi Sadhukhan , Jaya Maji , Somendra M. Bhattacharjee

The two strands of a DNA molecule with a repetitive sequence can pair into many different basepairing patterns. For perfectly periodic sequences, early bulk experiments of Poerschke indicate the existence of a sliding process, permitting…

Biomolecules · Quantitative Biology 2007-05-23 Richard A. Neher , Ulrich Gerland

DNA unzipping by nanopore translocation has implications in diverse contexts, from polymer physics to single-molecule manipulation to DNA-enzyme interactions in biological systems. Here we use molecular dynamics simulations and a…

Soft Condensed Matter · Physics 2025-01-29 Antonio Suma , Cristian Micheletti

Although carbon nanotubes are potential candidates for DNA encapsulation and subsequent delivery of biological payloads to living cells, the thermodynamical spontaneity of DNA encapsulation under physiological conditions is still a matter…

Biological Physics · Physics 2016-05-05 Fernando J. A. L. Cruz , Juan J. de Pablo , José P. B. Mota

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

Lasers based on biological materials are attracting an increasing interest in view of their use in integrated and transient photonics. DNA as optical biopolymer in combination with highly-emissive dyes has been reported to have excellent…

The closure of long equilibrated denaturation bubbles in DNA is studied using Brownian dynamics simulations. A minimal mesoscopic model is used where the double-helix is made of two interacting bead-spring freely rotating strands, with a…

Soft Condensed Matter · Physics 2015-06-12 Anil Kumar Dasanna , Nicolas Destainville , John Palmeri , Manoel Manghi

We have managed to correlate the stability constants of complex formation, which can be registered in equilibrium state, to the dynamic characteristic of the complex lifetime. Thus, the principal concept of molecular biophysics regarding…

Biomolecules, such as proteins and RNAs, can phase separate in the cytoplasm of cells to form biomolecular condensates. Such condensates are liquid-like droplets that can wet biological surfaces such as membranes. Many molecules that…

Soft Condensed Matter · Physics 2024-09-04 Xueping Zhao , Susanne Liese , Alf Honigmann , Frank Jülicher , Christoph A. Weber

The photophysical properties of deoxyribonucleic acid (DNA) are fundamental to life sciences and biophotonics. While previous studies have generally been restricted to fluorescence, attributing it to pi-pi* transitions and charge transfer…

The mechanism of threshold elongation (overstretching) of DNA macromolecules under the action of external force is studied within the framework of phenomenological approach. When considering the task it is taken into account that…

Biomolecules · Quantitative Biology 2016-02-22 Sergey N. Volkov

The competition between toroidal and rod-like conformations as possible ground states for DNA condensation is studied as a function of the stiffness, the length of the DNA and the form of the long-range interactions between neighboring…

Motivated by recent experiments we have studied the optical conductivity of DNA in its natural environment containing water molecules and counter ions. Our density functional theory calculations (using SIESTA) for four base pair B-DNA with…

Soft Condensed Matter · Physics 2009-11-11 A. Huebsch , R. G. Endres , D. L. Cox , R. R. P. Singh

There is increasing evidence that protein binding to specific sites along DNA can activate the reading out of genetic information without coming into direct physical contact with the gene. There also is evidence that these distant but…

Subcellular Processes · Quantitative Biology 2019-12-19 William Bialek , Thomas Gregor , Gašper Tkačik

Experimental studies of the thermal denaturation of DNA yield a strong indication that the transition is first order. This transition has been theoretically studied since the early sixties, mostly within an approach in which the microscopic…

Statistical Mechanics · Physics 2009-11-07 Y. Kafri , D. Mukamel , L. Peliti

Most living systems rely on double-stranded DNA (dsDNA) to store their genetic information and perpetuate themselves. This biological information has been considered the main target of evolution. However, here we show that symmetries and…

Biomolecules · Quantitative Biology 2025-05-01 Piero Fariselli , Cristian Taccioli , Luca Pagani , Amos Maritan

As a key molecule of Life, Deoxyribonucleic acid (DNA) is the focus of numbers of investigations with the help of biological, chemical and physical techniques. From a physical point of view, both experimental and theoretical works have…

Soft Condensed Matter · Physics 2016-05-26 Manoel Manghi , Nicolas Destainville

The effective force between two parallel DNA molecules is calculated as a function of their mutual separation for different valencies of counter- and salt ions and different salt concentrations. Computer simulations of the primitive model…

Soft Condensed Matter · Physics 2009-11-10 E. Allahyarov , G. Gompper , H. Löwen

The dynamics of a loop in DNA molecules at the denaturation transition is studied by scaling arguments and numerical simulations. The autocorrelation function of the state of complementary bases (either closed or open) is calculated. The…

Statistical Mechanics · Physics 2009-11-11 A. Bar , Y. Kafri , D. Mukamel
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