Ligands diffusion

CORRELATION FUNCTION LIGAND DIFFUSION TO RECEPTOR LIGHT SCATTERING (DYNAMIC)... 

LIGAND DIFFUSION TO RECEPTOR METAL ION COORDINATION REACTIONS... 

LINKED FUNCTIONS LIGAND DIFFUSION TO RECEPTOR Ligand dissociation rate,... 

Because of their hydrophobic character the steroid hormones or other nonpolar ligands diffuse through membranes into cells. There they may encounter a variety of binding proteins that affect their access to a receptor.307 311 Some receptors, including glucocorticoid receptors, are found in the cytosol. After a hor-... 

This supramolecular dendritic assembly serves as a valuable soluble model for the interaction of perfluoro-tagged catalysts with insoluble supports such as fluorous silica gel and clearly reveals the ligand diffusion from the complex at elevated temperatures. This behavior can also explain the high catalytic activity of the heterogeneous FPS system. 

Bidon-Chanal et a/. have used JE in steered MD studies of free-energy profile for ligand diffusion through a tunnel system of truncated haemoglobin, and Amaro et alP used steered MD simulation and calculation of free energy using JE to... 

R. Czerminski, R. Elber, Computational studies of ligand diffusion in globins I. leghemoglobin. Proteins Struct. Funct. Genet. 10 (1991), 70. 

Kier, L.B., Cheng, C.-K. and Testa, B. (2003) Studies of ligand diffusion pathways over a protein surface. J. Chem. Inf. Comput. Sci., 43, 255—258. 

Have a network conducive to ligand diffusion and binding to occur... 

The rate at which ligand molecules are bound by a receptor is equal to the intrinsic reaction rate constant kon times the ligand concentration at the receptor surface, L evaluated at r = s 5 is often termed the encounter radius. At steady state, this must be equal to the ligand diffusion rate (moles/time) to the receptor surface (the diffusive flux multiplied by the surface area, again evaluated at r = s). This provides the second boundary condition needed for Eq. (29) ... 

A different sort of check on the diffusion-limitation theory has been performed by Northrup (1988), who reported Brownian dynamics computer simulations of ligand diffusing to cell surface receptors. His calculations were aimed at the special case in which the intrinsic binding rate constant takes on a diffusion-limited value that is, kot> = 4Ds (which... 

When pc 1, there is no limitation of association or dissociation by ligand diffusion, so ks = kon and k = koU are constants, as had been assumed in our analyses in previous sections. However, as p becomes comparable to 1, diffusion begins to have an influence on the rates of these processes. For the case of ligand binding to cell surface receptors when p is comparable to 1, the rate constants kf and kr are functions of R and, through (Ar + )cdl, the diffusion coefficient. 

Nowak VV, R Czerminski and R Elber 1991. Reaction Path Study of Ligand Diffusion in Proteins Application of the Self Penalty Walk (SPW) Method to Calculate Reaction Coordinates for the Motion of CO through Leghemoglobin Journal of the American Chemical Society 113 5627-5737. 

Substitution at a labile metal ion is generally discussed in terms of the mechanism Ila, which was proposed by Eigen as a result of his work with chemical relaxation techniques and discussed further in his review with Wilkins. The hydrated metal ion and the hydrated ligand diffuse together rapidly to form an outer-sphere complex (sometimes called, more specifically, an ion-pair) in which the lone-pairs on the ligand are separated... 

Consider a spherical particle of radius a such as a protein or micelle, toward which small molecules or ligands diffuse (see Figure 18.6). At what rate do the small molecules collide with the sphere To compute the rate, solve the diffusion Equation (18.10) in spherical coordinates (see page 313 and problem 2, page 314). At steady state dc/dt = 0. Assume that the flow depends only on the radial distance away from the sphere, and not on the angular variables. Then you can compute c(r) using... 

Let s make the model more quantitative. L diffuses along the x-axis for a time Tofi. Plight is the probability that the ligand diffuses to beyond x = a in... 

Nowak, W., Czerminski, R., 8c Elber, R. (1991). Reaction path study of ligand diffusion in proteins Application of the self penalty walk (SPW) method to calculate reaction coordinates for the motion of CO through leghemoglobin. Journal of the American Chemical Society, 113, 5627. 

Orlowski, S., Nowak, W. (2008). Topology and thermodynamics of gaseous ligands diffusion paths in human neuroglobin. Biosystems, 94, 263. 

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