We present parmbsc1, a force field for DNA atomistic simulation, which has been
parameterized from high-level quantum mechanical data and tested for nearly 100 systems (…

The local aromaticity of the six-membered rings in three series of benzenoid compounds,
namely, the [n]acenes, [n]phenacenes, and [n]helicenes for n = 1−9, has been assessed by …

The local aromaticity of a series of benzenoid systems was determined through the use of
structurally (HOMA) and magnetically (NICS) based measures, and also by using a new …

Transporters of the amino acid, polyamine and organocation (APC) superfamily play
essential roles in cell redox balance, cancer, and aminoacidurias. The bacterial L-arginine/…

Histone tails and their epigenetic modifications play crucial roles in gene expression regulation
by altering the architecture of chromatin. However, the structural mechanisms by which …

Last generation of force-fields are raising expectations on the quality of molecular dynamics
(MD) simulations of DNA, as well as to the belief that theoretical models can substitute …

The establishment of cell identity during embryonic development involves the activation of
specific gene expression programmes and is underpinned by epigenetic factors including …

Background RNA secondary structures in the 5′-untranslated regions (5′-UTR) of mRNAs
are key to the post-transcriptional regulation of gene expression. While it is evident that non-…

Nucleosomes are the basic unit of chromatin that help the packaging of genetic material while
controlling access to the genetic information. The underlying DNA sequence, together with …

Hybrids of RNA with arabinonucleic acids 2′F-ANA and ANA have very similar structures
but strikingly different thermal stabilities. We now present a thorough study combining NMR …