scholarly journals Characterization of the Transition State of Functional Enzyme Dynamics

2006 ◽  
Vol 128 (24) ◽  
pp. 7724-7725 ◽  
Author(s):  
Evgenii L. Kovrigin ◽  
J. Patrick Loria
Keyword(s):  
Transition State ◽  
Enzyme Dynamics

Structural characterization of an on‐pathway intermediate and transition state in the folding of the N‐terminal SH2 domain from SHP2

FEBS Journal ◽  
2019 ◽  
Vol 286 (23) ◽  
pp. 4769-4777 ◽  
Author(s):  
Lorenzo Visconti ◽  
Francesca Malagrinò ◽  
Stefano Gianni ◽  
Angelo Toto
Keyword(s):  
Transition State ◽  
Structural Characterization ◽  
Sh2 Domain

scholarly journals Theoretical Characterization of Transition State Dynamical Resonances in Heavy–Light–Heavy Reactions

1991 ◽  
Vol 11 (3-4) ◽  
pp. 291-302
Author(s):  
A. Aguilar ◽  
M. Albertí ◽  
R. Blasco ◽  
M. Gilibert ◽  
X. Giménez ◽  
...  
Keyword(s):  
Transition State ◽  
Cross Sections ◽  
Energy Surface ◽  
Three Dimensional ◽  
Direct Consequence ◽  
Resonant Peak ◽  
S Matrix ◽  
Energy Dependent ◽  
Argand Plot

The resonant reactivity of three elementary Heavy–Light–Heavy reactions is presented and discussed. Collinear reactivity, in which a vibrational adiabatic model is constructed, is used for a detailed analysis of resonance phenomena, which appear as a direct consequence of transition state metastable states in the strong interaction region of the potential energy surface. Their influence on the detailed mechanism of the elementary process is also discussed. The shape of the resonant peak, and the phase and the Argand plot of the S-matrix are used for a further characterization.Three-dimensional approximate calculations are used to test the evolution of the energy dependent structure present in detailed quantities when sums and integrations over all partial waves contributing to reaction are taken into account to obtain the usual averaged global quantities such as integral state-to-state cross sections.

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