scholarly journals Mapping the energy landscape of protein–ligand binding via linear free energy relationships determined by protein NMR relaxation dispersion

2021 ◽  
Author(s):  
Olof Stenström ◽  
Carl Diehl ◽  
Kristofer Modig ◽  
Ulf J. Nilsson ◽  
Mikael Akke
Keyword(s):  
Free Energy ◽  
Ligand Binding ◽  
Energy Landscape ◽  
Protein Nmr ◽  
Nmr Relaxation ◽  
Binding Constants ◽  
Relaxation Dispersion ◽  
Linear Free Energy Relationships ◽  
Linear Free Energy ◽  
Energy Relationships

NMR relaxation dispersion experiments reveal linear free energy relationships relating the binding constants to the lifetimes of protein–ligand complexes, showing that the transition state is located close to the free state.

Linear free energy relationships in CN bond dissociations in molecular ions of 4-substitutedN-(2-furylmethyl)anilines in the gas phase

2007 ◽  
Vol 42 (11) ◽  
pp. 1496-1503 ◽  
Author(s):  
Eduardo A. Solano Espinoza ◽  
Elena Stashenko ◽  
Jairo Martínez ◽  
Uriel Mora ◽  
Vladimir Kouznetsov
Keyword(s):  
Free Energy ◽  
Gas Phase ◽  
Molecular Ions ◽  
Linear Free Energy Relationships ◽  
Linear Free Energy ◽  
Energy Relationships
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