Interbasin motion approach to dynamics of conformationally constrained peptides

Florin Despa; Ariel Fernández; R. Stephen Berry; Yaakov Levy; Joshua Jortner

doi:10.1063/1.1554393

Interbasin motion approach to dynamics of conformationally constrained peptides

Florin Despa, Ariel Fernández, R. Stephen Berry, Yaakov Levy, Joshua Jortner

Research output: Contribution to journal › Article › peer-review

11 Scopus citations

Abstract

By using the mean solution of the reduced master equation for interbasin motion, the connection between topography and dynamics for the particular case of conformationally constrained peptides was illustrated. These kinetic implications were revealed in the results of the calculations. In addition, it was indicated that modifications of the relaxation behavior can be quantified in some cases and compared by an adequate partitioning of the PS.

Original language	English
Pages (from-to)	5673-5682
Number of pages	10
Journal	Journal of Chemical Physics
Volume	118
Issue number	12
DOIs	https://doi.org/10.1063/1.1554393
State	Published - Mar 22 2003

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1063/1.1554393

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title = "Interbasin motion approach to dynamics of conformationally constrained peptides",

abstract = "By using the mean solution of the reduced master equation for interbasin motion, the connection between topography and dynamics for the particular case of conformationally constrained peptides was illustrated. These kinetic implications were revealed in the results of the calculations. In addition, it was indicated that modifications of the relaxation behavior can be quantified in some cases and compared by an adequate partitioning of the PS.",

author = "Florin Despa and Ariel Fern{\'a}ndez and Berry, {R. Stephen} and Yaakov Levy and Joshua Jortner",

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AU - Despa, Florin

AU - Fernández, Ariel

AU - Berry, R. Stephen

AU - Levy, Yaakov

AU - Jortner, Joshua

PY - 2003/3/22

Y1 - 2003/3/22

N2 - By using the mean solution of the reduced master equation for interbasin motion, the connection between topography and dynamics for the particular case of conformationally constrained peptides was illustrated. These kinetic implications were revealed in the results of the calculations. In addition, it was indicated that modifications of the relaxation behavior can be quantified in some cases and compared by an adequate partitioning of the PS.

AB - By using the mean solution of the reduced master equation for interbasin motion, the connection between topography and dynamics for the particular case of conformationally constrained peptides was illustrated. These kinetic implications were revealed in the results of the calculations. In addition, it was indicated that modifications of the relaxation behavior can be quantified in some cases and compared by an adequate partitioning of the PS.

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U2 - 10.1063/1.1554393

DO - 10.1063/1.1554393

M3 - Article

AN - SCOPUS:0344951101

SN - 0021-9606

VL - 118

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EP - 5682

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 12

ER -

Interbasin motion approach to dynamics of conformationally constrained peptides

Abstract

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