In the present work, we delineate the molecular mechanism of a bulky antibiotic permeating through a bacterial channel and uncover the role of conformational dynamics of the constriction loop in this process. Using the ...

Residing in the 5′ untranslated region of the mRNA, the 2′-deoxyguanosine (2′-dG) riboswitch mRNA element adopts an alternative structure upon binding of the 2′-dG molecule, which terminates transcription. RNA conformations ...

The Elovich equation has long been used to describe the kinetics of adsorption of gases on solids. It is shown here that many results which have been fitted to this equation can be more satisfactorily described in terms ...

A grand challenge in atomistic simulations is achieving large-scale conformation changes and observing multiple binding and unbinding events in a large molecular machine, such as the ribosome. These dynamics typically ...

Riboswitches are non-coding RNA sequences that control cellular processes through ligand binding. Conformational heterogeneity is fundamental to riboswitch functionality, yet this same attribute makes structural characterization ...

Understanding how molecular machines like the ribosome operate over long biological timescales remains a major challenge for computational biology. Large systems and rare, slow events, such as ligand dissociation or domain ...

During infection, plant-secreted hydrolases play a prominent role in defense and are often targeted by pathogens. We recently discovered that Pseudomonas syringae produces a small molecule inhibitor ‘galactosyrin’ to ...

The complex dielectric permittivities of bovine serum albumin, cytochrome-c and lysozyme powders have been measured as a function of partial hydration at 9.9 GHz using a microwave cavity perturbation technique. By analysing ...

Reactions of CD2[double bond, length as m-dash]CH—CH3, but-1-ene and 3,3-dimethylbut-1-ene have been studied over a Y-type zeolite containing ∼4 CuII per unit cell. Kinetic induction periods, associated with the generation ...

It has been shown that highly exchanged L zeolites have hydroxyls vibrating at 3740, 3730, 3680 and 3630 cm–1 and a large number of strongly interacting hydroxyls. The structural 3630 cm–1 hydroxyls, stable under the ...