The perspective reviews quantitative investigations of chemical exchange phenomena in
proteins and other biological macromolecules using NMR spectroscopy, particularly …

Nucleosomes and chromatin control eukaryotic genome accessibility and thereby regulate
DNA processes, including transcription, replication, and repair. Conformational dynamics …

SARS-CoV-2 encodes four structural proteins incorporated into virions, spike (S), envelope
(E), nucleocapsid (N), and membrane (M). M plays an essential role in viral assembly by …

In this work, we critically assess the ability of the all-atom enhanced sampling method
accelerated molecular dynamics (aMD) to investigate conformational changes in proteins …

The importance of dynamics to biomolecular function is becoming increasingly clear. A
description of the structure–function relationship must, therefore, include the role of motion …

Molecular simulations and biophysical experiments can be used to provide independent
and complementary insights into the molecular origin of biological processes. A particularly …

Human ubiquitin has been extensively characterized using a variety of experimental and
computational methods and has become an important model for studying protein dynamics …

Molecular dynamics simulations of unprecedented duration now can provide new insights
into biomolecular mechanisms. Analysis of a 1-ms molecular dynamics simulation of the …

The new coronavirus, SARS-CoV-2, caused the COVID-19 pandemic, characterized by its
high rate of contamination, propagation capacity, and lethality rate. In this work, we …

Proteins perform their functions in solution but their structures are most frequently studied
inside crystals. Here we probe how the crystal packing alters microsecond dynamics, using …