Theoretical–computational modelling of the temperature dependence of the folding–unfolding thermodynamics and kinetics: the case of a Trp-cage

2019 ◽  
Vol 21 (41) ◽  
pp. 23162-23168
Author(s):  
Marco D'Abramo ◽  
Sara Del Galdo ◽  
Andrea Amadei
Keyword(s):  
Temperature Dependence ◽  
Computational Study ◽  
Computational Modelling ◽  
Thermodynamics And Kinetics ◽  
Kinetics Of ◽  
Unfolding Thermodynamics

Here we present a theoretical–computational study of the thermodynamics and kinetics of an aqueous Trp-cage, a 20-residue long miniprotein.

Temperature Dependence of the Thermodynamics and Kinetics of Micellar Solutions

Langmuir ◽  
2004 ◽  
Vol 20 (6) ◽  
pp. 2199-2207 ◽  
Author(s):  
A. Zilman ◽  
S. A. Safran ◽  
T. Sottmann ◽  
R. Strey
Keyword(s):  
Temperature Dependence ◽  
Micellar Solutions ◽  
Thermodynamics And Kinetics ◽  
Kinetics Of

A computational study on Pt and Ru dimers supported on graphene for the hydrogen evolution reaction: new insight into the alkaline mechanism

2019 ◽  
Vol 7 (8) ◽  
pp. 3648-3654 ◽  
Author(s):  
Xin Liu ◽  
Yan Jiao ◽  
Yao Zheng ◽  
Kenneth Davey ◽  
Shi-Zhang Qiao
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Computational Study ◽  
Dissociative Chemisorption ◽  
Thermodynamics And Kinetics ◽  
Kinetics Of ◽  
Insight Into ◽  
Chemisorption Energy

The dissociative chemisorption energy of water was proposed to address both thermodynamics and kinetics of alkaline hydrogen evolution.

Thermodynamics and Kinetics of Methylglyoxal Dimer Formation: A Computational Study

2009 ◽  
Vol 113 (25) ◽  
pp. 6994-7001 ◽  
Author(s):  
Hadley E. Krizner ◽  
David O. De Haan ◽  
Jeremy Kua
Keyword(s):  
Computational Study ◽  
Dimer Formation ◽  
Thermodynamics And Kinetics ◽  
Kinetics Of

Irradiation behavior of pyrolytic silicon carbide

1983 ◽  
Vol 41 ◽  
pp. 72-73
Author(s):  
R. J. Lauf
Keyword(s):  
Silicon Carbide ◽  
Fission Products ◽  
Thermodynamics And Kinetics ◽  
Neutron Fluences ◽  
Fuel Particles ◽  
Sic Coatings ◽  
Irradiation Behavior ◽  
Kinetics Of ◽  
Htgr Fuel

Fuel particles for the High-Temperature Gas-Cooled Reactor (HTGR) contain a layer of pyrolytic silicon carbide to act as a miniature pressure vessel and primary fission product barrier. Optimization of the SiC with respect to fuel performance involves four areas of study: (a) characterization of as-deposited SiC coatings; (b) thermodynamics and kinetics of chemical reactions between SiC and fission products; (c) irradiation behavior of SiC in the absence of fission products; and (d) combined effects of irradiation and fission products. This paper reports the behavior of SiC deposited on inert microspheres and irradiated to fast neutron fluences typical of HTGR fuel at end-of-life.

Thermodynamics and kinetics of hydriding of the Zr(Ni0.75V0.25)2 laves phase

2004 ◽  
Vol 29 (2) ◽  
pp. 1-9
Author(s):  
Mustapha Boulghallat ◽  
Ahmed Jouaiti ◽  
Norbert Gérard
Keyword(s):  
Laves Phase ◽  
Thermodynamics And Kinetics ◽  
Kinetics Of
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