Highlights•We describe the most recent methods to study DNA from electrons to
chromosomes.•Methods were classified as: electronic, atomistic, coarse grained, and …

Enzymatic reactions are complex chemical processes taking place in complex dynamic
environments. Theoretical characterization of these reactions requires the determination of …

Here we present a modified version of the on-the-fly string method for the localization of the
minimum free energy path in a space of arbitrary collective variables. In the proposed …

As part of a revision to the content and delivery of first-year chemistry instruction at the
University of British Columbia's Okanagan campus, we have employed the United Nations …

The fat-mass and obesity-associated (FTO) protein employs an iron (IV) oxo species to
demethylate N-methylated nucleic acids. Herein, we use atomistic-theoretical calculations to …

M. HhaI is a DNA methyltransferase from Haemophilus hemolyticus that catalyzes the
transfer of a methyl group from S-adenosyl-l-methionine (SAM) to the C5 position of a …

Oxidatively generated DNA lesions are numerous and versatile, and have been the subject
of intensive research since the discovery of 8‐oxoguanine in 1984. Even for this prototypical …

The use of computers for predicting the structures and properties of biomolecules has
closely paralleled computer development since the 1950s, and has been one of the core …

The complex of methyltransferase-like proteins 3 and 14 (METTL3-14) is the major enzyme
that deposits N 6-methyladenosine (m 6 A) modifications on messenger RNA (mRNA) in …

Mg2+ ions are essential for the proper functioning of protein kinases, and their roles in
kinase activity have been studied for years. However, recent investigations have shed light …