Transformations between G- (monomeric) and F-actin (polymeric) are important in cellular behaviors such as migration, cytokinesis, and morphing. In order to understand these transitions, we combined single-molecule Förster resonance energy transfer with total internal reflection fluorescence microscopy to examine conformational changes of individual actin protomers. We found that the protomers ...

NBO analysis, hybrid density functional theory (B3LYP/6-311+G**) and ab initio molecular orbital (HF/6-311+G**) based methods were used to study the anomeric effects (AE), electrostatic interactions, dipole-dipole interactions and steric repulsion effects on the conformational properties of 2-methoxy- (1), 2-methylthio- (2), 2-methylseleno- (3), 2-fluoro- (4), 2-chloro- (5) and 2-bromocyclohexa...

Mapping the conformational landscape of G protein-coupled receptors (GPCRs), and in particular how this landscape is modulated by the membrane environment, is required to gain a clear picture of how signaling proceeds. To this end, we have developed an original strategy based on solution-state nuclear magnetic resonance combined with an efficient isotope labeling scheme. This strategy was appli...

A protein undergoes conformational dynamics with multiple time scales, which results in fluctuating enzyme activities. Recent studies in single-molecule enzymology have observe this "age-old" dynamic disorder phenomenon directly. However, the single-molecule technique has its limitation. To be able to observe this molecular effect with real biochemical functions in situ, we propose to couple th...

We present a model of cooperativity between transmembrane receptors. Two responses to ligand binding, receptor signalling and the enhancement of clustering, or oligomerization, are unified in the same framework. The model is based on a conformation-dependent interaction between neighboring receptors. In order to decrease the total energy of the system, neighboring receptors tend to have a same ...

mndo semi-empirical scf mo calculations are used to study the pyramidal nitrogen atom inversion and configurational equilibria in the title compounds.