Multidimensional Barrier Crossing

Nitzan, Abraham; Schuss, Z.

doi:10.1142/9789814503716_0003

Cited by 8 publications

(4 citation statements)

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“…The Kramers and G−H models are for a one-dimensional “system” (solute) coupled to a multidimensional bath. Multidimensional effects were discussed within the context of these one-dimensional theories by Nitzan and Schuss , have developed a VTST with planar dividing surfaces for systems with two degrees of freedom coupled to a GLE model.…”

Section: Reactions In the Condensed Phasementioning

confidence: 99%

Current Status of Transition-State Theory

1996

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We present an overview of the current status of transition-state theory and its generalizations. We emphasize (i) recent improvements in available methodology for calculations on complex systems, including the interface with electronic structure theory, (ii) progress in the theory and application of transition-state theory to condensed-phase reactions, and (iii) insight into the relation of transition-state theory to accurate quantum dynamics and tests of its accuracy via comparisons with both experimental and other theoretical dynamical approximations.

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Section: Reactions In the Condensed Phasementioning

confidence: 99%

Current Status of Transition-State Theory

1996

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“…In the biological literature, see Andersen & Koeppe, 1992;Barcilon et al, 1993;Chiu & Jakobsson, 1989;Cooper, Jakobsson & Wolynes, 1985;Cooper et al, 1988a;Cooper, Gates & Eisenberg, 1988b;Crouzy, Woolf & Roux, 1994;Eisenberg et al, 1995;Läuger, 1991;Roux & Karplus, 1991a). In the chemical literature, the appropriate form for barrier theory in the presence of friction has been known for more than 50 years in chemistry as part of the diffusion theory of chemical reactions (Berne, Borkovec & Straub, 1988;Chandler, 1978;Cho et al, 1993;Coffey, Kalmykov & Wladron, 1996;Dresden, 1987;Eisenberg et al, 1995;Fleming & Hänggi, 1993;Fleming, Courtney & Balk, 1986;Friedman, 1985;Gardiner, 1985;Haar, 1998;Han, Lapointe & Lukens, 1993;Hänggi et al, 1990;Hynes, 1985;Hynes, 1986;Kramers, 1940;Laidler & King, 1983;Murthy & Singer, 1987;Nitzan & Schuss, 1993;Pollak, 1993;Pollak, 1996;Risken, 1984;Tyrrell & Harris, 1984).…”

Section: Traditional Explanations For the Mfementioning

confidence: 99%

From Structure to Function in Open Ionic Channels

Eisenberg

1999

Journal of Membrane Biology

158

131

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We consider a simple working hypothesis that all permeation properties of open ionic channels can be predicted by understanding electrodiffusion in fixed structures, without invoking conformation changes, or changes in chemical bonds. We know, of course, that ions can bind to specific protein structures, and that this binding is not easily described by the traditional electrostatic equations of physics textbooks, that describe average electric fields, the so-called `mean field'. The question is which specific properties can be explained just by mean field electrostatics and which cannot. I believe the best way to uncover the specific chemical properties of channels is to invoke them as little as possible, seeking to explain with mean field electrostatics first. Then, when phenomena appear that cannot be described that way, by the mean field alone, we turn to chemically specific explanations, seeking the appropriate tools (of electrochemistry, Langevin, or molecular dynamics, for example) to understand them. In this spirit, we turn now to the structure of open ionic channels, apply the laws of electrodiffusion to them, and see how many of their properties we can predict just that way.Comment: Nearly final version of publicatio

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“…Theory. The analysis of flux over barriers can be extended to derive the exponential expressions of 'Eyring' rate theory, i.e., the transition state theory widely used to describe how rate constants depend on the height of potential barriers [8,12,26,38,55,64,66,72,79,100,101,110,112,124,128,136]. If the (normalized) potential profile…”

Section: Rate Models and Transition Statementioning

confidence: 99%

Ionic channels in biological membranes- electrostatic analysis of a natural nanotube

Eisenberg¹

1998

Contemporary Physics

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Ionic channels are proteins with holes down their middle that control access to biological cells and thus govern an enormous range of biological functions important in health and disease. A substantial fraction of the drugs used in clinical medicine act directly or indirectly on channels. Channels have a simple well defined structure, and the fundamental mechanism of ionic motion is known to be electrodiffusion. The current through individual channel molecules can easily be

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Multidimensional Barrier Crossing

Cited by 8 publications

References 0 publications

Current Status of Transition-State Theory

Current Status of Transition-State Theory

From Structure to Function in Open Ionic Channels

Ionic channels in biological membranes- electrostatic analysis of a natural nanotube

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