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Bimolecular binding rate constants are often used to describe the association of large molecules, such as proteins. In this paper, we analyze a model for such binding rates that includes the fact that pairs of molecules can bind only in…

Analysis of PDEs · Mathematics 2020-11-05 Claire E. Plunkett , Sean D. Lawley

We develop a simple but rigorous model of protein-protein association kinetics based on diffusional association on free energy landscapes obtained by sampling configurations within and surrounding the native complex binding funnels. Guided…

Biomolecules · Quantitative Biology 2007-05-23 Maximilian Schlosshauer , David Baker

The long-time behavior of a reaction-diffusion front between one static (e.g. porous solid) reactant A and one initially separated diffusing reactant B is analyzed for the mean-field reaction-rate density R(\rho_A,\rho_B) =…

Chemical Physics · Physics 2009-10-31 Martin Z. Bazant , Howard A. Stone

In many biological situations, a species arriving from a remote source diffuses in a domain confined between two parallel surfaces until it finds a binding partner. Since such a geometric shape falls in between two- and three-dimensional…

Chemical Physics · Physics 2019-11-05 Denis S. Grebenkov , Diego Krapf

We study diffusion of particles on the surface of a sphere toward a partially reactive circular target with partly reversible binding kinetics. We solve the coupled diffusion-reaction equations and obtain the exact expressions for the…

Statistical Mechanics · Physics 2019-11-05 Denis S. Grebenkov

The calculation of the diffusion-controlled reaction rate for partially absorbing, non-spherical boundaries presents a formidable problem of broad relevance. In this paper we take the reference case of a spherical boundary and work out a…

Statistical Mechanics · Physics 2019-11-11 Francesco Piazza , Denis Grebenkov

We study the formation of protein-protein encounter complexes with a Langevin equation approach that considers direct, steric and thermal forces. As three model systems with distinctly different properties we consider the pairs…

Biomolecules · Quantitative Biology 2009-11-13 Jakob Schluttig , Denitsa Alamanova , Volkhard Helms , Ulrich S. Schwarz

The kinetics of bimolecular reactions in solution depends, among other factors, on intermolecular forces such as steric repulsion or electrostatic interaction. Microscopically, a pair of molecules first has to meet by diffusion before the…

Soft Condensed Matter · Physics 2019-10-24 Manuel Dibak , Christoph Fröhner , Frank Noé , Felix Höfling

By considering the master equation of the partially asymmetric diffusion process on a one-dimensional lattice, the most general boundary condition (i.e. interactions) for the multi-species reaction-diffusion processes is considered.…

Statistical Mechanics · Physics 2009-11-11 M. Alimohammadi , Y. Naimi

We develop an analytical diffusion-equation-type approximation scheme for the one-dimensional coagulation reaction A+A->A with partial reaction probability on particle encounters which are otherwise hard-core. The new approximation…

Condensed Matter · Physics 2010-10-12 V. Privman , C. R. Doering , H. L. Frisch

In this work, an improved methodology for studying interactions of proteins in solution by small-angle scattering, is presented. Unlike the most common approach, where the protein-protein correlation functions $g_{ij}(r)$ are approximated…

Statistical Mechanics · Physics 2009-11-07 Francesco Spinozzi , Domenico Gazzillo , Achille Giacometti , Paolo Mariani , Flavio Carsughi

We investigate the influence of a stochastically fluctuating step-barrier potential on bimolecular reaction rates by exact analytical theory and stochastic simulations. We demonstrate that the system exhibits a new resonant reaction…

Chemical Physics · Physics 2016-03-23 Jakob J. Kolb , Stefano Angioletti-Uberti , Joachim Dzubiella

In heavy-ion fusion reactions involving a well deformed nucleus, one often assumes that the orientation of the target nucleus does not change during the reaction. We discuss the accuracy of this procedure by analyzing the excitation…

Nuclear Theory · Physics 2009-11-06 Tamanna Rumin , Kouichi Hagino , Noboru Takigawa

It has been established that there is an inherent limit to the accuracy of the reaction-diffusion master equation. Specifically, there exists a fundamental lower bound on the mesh size, below which the accuracy deteriorates as the mesh is…

Numerical Analysis · Mathematics 2016-01-27 Stefan Hellander , Linda Petzold

We investigate with the help of analytical and numerical methods the reaction A+A->A on a one-dimensional lattice opened at one end and with an input of particles at the other end. We show that if the diffusion rates to the left and to the…

Statistical Mechanics · Physics 2009-10-28 Haye Hinrichsen , Vladimir Rittenberg , Horatiu Simon

The reversible A <-> B reaction-diffusion process, when species A and B are initially mixed and diffuse with different diffusion coefficients, is investigated using the boundary layer function method. It is assumed that the ratio of the…

Statistical Mechanics · Physics 2008-10-22 M. Sinder , V. Sokolovsky , J. Pelleg

We identify a length scale that simultaneously accounts for the observed proton-nucleus reaction cross section and diffraction peak in the proton elastic differential cross section. This scale is the nuclear radius, $a$, deduced from proton…

Nuclear Theory · Physics 2009-11-10 Akihisa Kohama , Kei Iida , Kazuhiro Oyamatsu

We consider a porous media equation with balanced bistable reactions, equipped with some general nonlinear boundary condition. When the coefficient of the reaction term is much larger than that of the diffusion term, we see that, besides…

Analysis of PDEs · Mathematics 2024-02-22 Bendong Lou

The power-law TST reaction rate coefficient for an elementary bimolecular reaction is studied when the reaction takes place in a nonequilibrium system with power-law distributions. We derive a generalized TST rate coefficient, which not…

Chemical Physics · Physics 2015-08-10 Cangtao Yin , Jiulin Du

We consider the one-dimensional partially asymmetric exclusion model with open boundaries. The model describes a system of hard-core particles that hop stochastically in both directions with different rates. At both boundaries particles are…

Condensed Matter · Physics 2009-10-28 Fabian H. L. Essler , Vladimir Rittenberg
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