Title:
The kinetics of conformational transitions: Effect of variation of bond angle bending and bond stretching force constants
The kinetics of conformational transitions: Effect of variation of bond angle bending and bond stretching force constants
| dc.contributor.author | Helfand, Eugene | |
| dc.contributor.author | Wasserman, Z. R. | |
| dc.contributor.author | Weber, Thomas A. | |
| dc.contributor.author | Skolnick, Jeffrey | |
| dc.contributor.author | Runnels, John H. | |
| dc.contributor.corporatename | Bell Telephone Laboratories | |
| dc.contributor.corporatename | Louisiana State University (Baton Rouge, La.). Dept. of Chemistry | |
| dc.date.accessioned | 2009-02-02T19:21:50Z | |
| dc.date.available | 2009-02-02T19:21:50Z | |
| dc.date.issued | 1981-11-01 | |
| dc.description | ©1981 American Institute of Physics | en |
| dc.description | The electronic version of this article is the complete one and can be found online at: http://link.aip.org/link/?JCPSA6/75/4441/1 | |
| dc.description | DOI:10.1063/1.442610 | |
| dc.description.abstract | Conformational transitions in chain molecules have been shown to proceed via a reaction coordinate which is a localized mode involving rotations about bonds, and also bond angle bending and bond stretching. By investigating the kinetics as a function of the force constants (flexibility) for bond angle bending and bond stretching, the role of the localized mode is probed. The study reported here consists of computer simulations of the Brownian dynamics of chain motions, and of kinetic calculations of rates and reaction modes. The theory accurately predicts the relative effects of force constant variations on transition rates determined by simulation. | en |
| dc.identifier.citation | Journal of Chemical Physics, 1981:75: 4441-4445 | en |
| dc.identifier.issn | 0021-9606 | |
| dc.identifier.uri | http://hdl.handle.net/1853/26887 | |
| dc.language.iso | en_US | en |
| dc.publisher | Georgia Institute of Technology | en |
| dc.publisher.original | American Institute of Physics | |
| dc.subject | Reaction coordinates | en |
| dc.subject | Bond angle | en |
| dc.subject | Bond lengths | en |
| dc.subject | Vibrational states | en |
| dc.subject | Computerized simulation | en |
| dc.subject | Energy level transitions | en |
| dc.subject | Isometric transitions | en |
| dc.subject | Kinetics | en |
| dc.subject | Molecules | en |
| dc.subject | Polymers | en |
| dc.title | The kinetics of conformational transitions: Effect of variation of bond angle bending and bond stretching force constants | en |
| dc.type | Text | |
| dc.type.genre | Article | |
| dspace.entity.type | Publication | |
| local.contributor.author | Skolnick, Jeffrey | |
| local.contributor.corporatename | College of Sciences | |
| local.contributor.corporatename | School of Biological Sciences | |
| local.contributor.corporatename | Center for the Study of Systems Biology | |
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