Determination of microscopic acid–base parameters from NMR–pH titrations
Z Szakács, M Kraszni, B Noszál - Analytical and bioanalytical chemistry, 2004 - Springer
The theory and practice of proton microspeciation based on NMR–pH titrations are
surveyed. Principles of bi-, tri-, tetra-, and n-protic microequilibrium systems are discussed …
surveyed. Principles of bi-, tri-, tetra-, and n-protic microequilibrium systems are discussed …
Combining prediction, computation and experiment for the characterization of protein disorder
Several computational and experimental methods exist for identifying disordered residues
within proteins. Computational algorithms can now identify these disordered sequences and …
within proteins. Computational algorithms can now identify these disordered sequences and …
[图书][B] Non-covalent interactions in proteins
A Karshikoff - 2006 - World Scientific
Non-covalent interactions are weak interactions between atoms or molecules where no
chemical reaction takes place. Because no formation or breaking of chemical bonds is …
chemical reaction takes place. Because no formation or breaking of chemical bonds is …
Polymer models of protein stability, folding, and interactions
HX Zhou - Biochemistry, 2004 - ACS Publications
The unfolded state and flexible linkers in the folded structure play essential roles in protein
stability and folding and protein− protein interactions. Intrinsic to these roles is the fact that …
stability and folding and protein− protein interactions. Intrinsic to these roles is the fact that …
Origin of the multi-phasic quenching dynamics in the BLUF domains across the species
Y Zhou, S Tang, Z Chen, Z Zhou, J Huang… - Nature …, 2024 - nature.com
Blue light using flavin (BLUF) photoreceptors respond to light via one of nature's smallest
photo-switching domains. Upon photo-activation, the flavin cofactor in the BLUF domain …
photo-switching domains. Upon photo-activation, the flavin cofactor in the BLUF domain …
An accurate density functional theory based estimation of p K a values of polar residues combined with experimental data: from amino acids to minimal proteins
We report a scheme for estimating the acid dissociation constant (pKa) based on quantum-
chemical calculations combined with a polarizable continuum model, where a parameter is …
chemical calculations combined with a polarizable continuum model, where a parameter is …
Protein dielectric constants determined from NMR chemical shift perturbations
Understanding the connection between protein structure and function requires a quantitative
understanding of electrostatic effects. Structure-based electrostatic calculations are essential …
understanding of electrostatic effects. Structure-based electrostatic calculations are essential …
Site-specific contributions to the pH dependence of protein stability
M Tollinger, KA Crowhurst, LE Kay… - Proceedings of the …, 2003 - National Acad Sciences
Understanding protein stability is a significant challenge requiring characterization of
interactions within both folded and unfolded states. Of these, electrostatic interactions …
interactions within both folded and unfolded states. Of these, electrostatic interactions …
Triptorelin-functionalized PEG-coated biosynthesized gold nanoparticles: Effects of receptor-ligand interactions on adhesion to triple negative breast cancer cells
This paper presents the results of an experimental and computational study of the adhesion
of triptorelin-conjugated PEG-coated biosynthesized gold nanoparticles (GNP-PEG-TRP) to …
of triptorelin-conjugated PEG-coated biosynthesized gold nanoparticles (GNP-PEG-TRP) to …
Defining the role of salt bridges in protein stability
I Jelesarov, A Karshikoff - Protein structure, stability, and interactions, 2009 - Springer
Although the energetic balance of forces stabilizing proteins has been established
qualitatively over the last decades, quantification of the energetic contribution of particular …
qualitatively over the last decades, quantification of the energetic contribution of particular …