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At molecular scales, fluctuations play a significant role and prevent biomolecular processes from always proceeding in a preferred direction, raising the question of how limited amounts of free energy can be dissipated to obtain directed…

Statistical Mechanics · Physics 2016-10-05 Aidan I. Brown , David A. Sivak

We introduce and analyze a model for the transport of particles or energy in extended lattice systems. The dynamics of the model acts on a discrete phase space at discrete times but has nonetheless some of the characteristic properties of…

Mathematical Physics · Physics 2015-06-12 Raphael Lefevere

The effect of molecular vibrations on electronic transport is investigated with the smallest fullerene C20 bridge, utilizing the Keldysh nonequilibrium Green's function techniques combined with the tight-binding molecular-dynamics method.…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 Takahiro Yamamoto , Kazuyuki Watanabe , Satoshi Watanabe

This study aims at finding a method for constructing molecular dynamics like models using the formalism of cellular automata for fast simulation of fluid dynamic systems (including compressible phenomena). In as much as the results…

comp-gas · Physics 2009-09-25 Himanshu Agrawal

The effect of sequence heterogeneity on polynucleotide translocation across a pore and on simple models of molecular motors such as helicases, DNA polymerase/exonuclease and RNA polymerase is studied in detail. Pore translocation of RNA or…

Statistical Mechanics · Physics 2009-11-10 Yariv Kafri , David K. Lubensky , David R. Nelson

Molecular motor proteins serve as an essential component of intracellular transport by generating forces to haul cargoes along cytoskeletal filaments. Two species of motors that are directed oppositely (e.g. kinesin, dynein) can be attached…

Subcellular Processes · Quantitative Biology 2017-05-10 Christopher E. Miles , James P. Keener

Many cell functions are accomplished thanks to intracellular transport mechanisms of macromolecules along filaments. Molecular motors such as dynein or kinesin are proteins playing a primary role in these processes. The behavior of such…

Chaotic Dynamics · Physics 2010-12-21 Donatello Materassi , Subhrajit Roychowdhury , Murti V. Salapaka

Many transport processes in nature take place on substrates, often considered as unidimensional lanes. These unidimensional substrates are typically non-static: affected by a fluctuating environment, they can undergo conformational changes.…

Statistical Mechanics · Physics 2013-01-11 Francesco Turci , Andrea Parmeggiani , Estelle Pitard , M. Carmen Romano , Luca Ciandrini

The linear conductance of a molecular conductor oscillating between two metallic leads is investigated numerically both for Hubbard interacting and noninteracting electrons. The molecule-leads tunneling barriers depend on the molecule…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 K. A. Al-Hassanieh , C. A. Büsser , G. B. Martins , E. Dagotto

We propose a mechanism of cell motility which is based on contraction and does not require protrusion. The contraction driven translocation of a cell is due to internal flow of the cytoskeleton generated by molecular motors. Each motor…

Biological Physics · Physics 2013-02-19 Pierre Recho , Thibault Putelat , Lev Truskinovsky

We theoretically analyzed inelastic effects in the electron transport through molecular junctions originating from electron-vibron interactions. The molecular bridge was simulated by a periodic chain of identical interacting hydrogen-like…

Materials Science · Physics 2010-01-03 Natalya A. Zimbovskaya , Maija M. Kuklja

We discuss effects of the stepping kinetics of molecular motors on their traffic behavior on crowded filaments using a simple two-state chemomechanical cycle. While the general traffic behavior is quite robust with respect to the detailed…

Statistical Mechanics · Physics 2008-10-10 Stefan Klumpp , Yan Chai , Reinhard Lipowsky

Molecular dynamics simulations have been performed on pure liquid water, aqueous solutions of sodium chloride, and polymer solutions exposed to a strong external electric field with the goal to gain molecular insight into the structural…

Soft Condensed Matter · Physics 2016-08-08 I. Nezbeda , J. Jirsák , F. Moučka , W. R. Smith

Microscopic biological systems operate far from equilibrium, are subject to strong fluctuations, and are composed of many coupled components with interactions varying in nature and strength. Researchers are actively investigating the…

Statistical Mechanics · Physics 2023-12-25 Emma Lathouwers , David A. Sivak

Cytoskeletal motors known as motor proteins are molecules that drive cellular transport along several parallel cytoskeletal filaments and support many biological processes. Experimental evidences suggest that they interact with the nearest…

Statistical Mechanics · Physics 2017-11-22 Tripti Midha , A. K. Gupta

We propose a simple theoretical model for a molecular chemical engine that catalyzes a chemical reaction and converts the free energy released by the reaction into mechanical work. Binding and unbinding processes of reactant and product…

Statistical Mechanics · Physics 2018-05-22 Kazuo Sasaki

Many biological processes involve the action of molecular motors that interact with the cell cytoskeleton. Some processes, such as the transport of cargoes is achieved mainly by the action of individual motors. Other, such as cell motility…

Biological Physics · Physics 2011-03-25 Oded Farago , Anne Bernheim-Groswasser

One common feature of a vehicle, an ant and a kinesin motor is that they all convert chemical energy, derived from fuel or food, into mechanical energy required for their forward movement; such objects have been modelled in recent years as…

Statistical Mechanics · Physics 2009-11-10 Debashish Chowdhury

Molecular machines transduce free energy between different forms throughout all living organisms. While truly machines in their own right, unlike their macroscopic counterparts molecular machines are characterized by stochastic…

Statistical Mechanics · Physics 2025-06-13 Matthew P. Leighton , David A. Sivak

We investigated three models of Brownian motors which convert rotational diffusion into directed translational motion by switching on and off a potential. In the first model a spatially asymmetric potential generates directed translational…

Statistical Mechanics · Physics 2009-11-11 Brian Geislinger , Ryoichi Kawai