Nalvi Duro

TL;DR: In this article, all-atom molecular dynamics simulations were used to investigate the role of thermal fluctuations in structure of SARS-CoV-2 and showed that the difference in binding affinity between CoV and SARS CoV was not explained from X-ray structures.

TL;DR: This study highlights the intrinsic complexity of lipid-substrate interactions and suggests the prospect of making two surface attributes-dipole densities and charge densities-work antagonistically toward remodeling lipid bilayer properties.

TL;DR: A detailed model of the initial events of allosteric stimulation of the hemagglutinin-neuraminidase protein of paramyxoviruses by host sialic acids is proposed, consistent with experiments on engineered mutations.

TL;DR: All-atom molecular dynamics simulations indicate that CoV-2’s higher affinity is due primarily to differences in specific spike residues that are local to the spike-ACE2 interface, although there are allosteric effects in binding.

TL;DR: Results from this study suggest that, in addition to other known post-translational modifications that occur on histone proteins, PTN could induce chromatin structural changes, possibly affecting gene transcription processes associated with the development of alcohol-induced liver injury.