The structure and function of biomolecules are strongly influenced by their hydration shells.
Structural fluctuations and molecular excitations of hydrating water molecules cover a broad …

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

The AMOEBA polarizable atomic multipole force field for nucleic acids is presented. Valence
and electrostatic parameters were determined from high-level quantum mechanical data …

Conspectus Molecular association of proteins with nucleic acids is required for many
biological processes essential to life. Electrostatic interactions via ion pairs (salt bridges) of …

We present a systematic study of the long-timescale dynamics of the Drew–Dickerson
dodecamer (DDD: d (CGCGAATTGCGC) 2) a prototypical B-DNA duplex. Using our newly …

We report on the fate of nucleic acids conformation in the gas phase as sampled using
native mass spectrometry coupled to ion mobility spectrometry. On the basis of several …

The ion atmosphere surrounding highly charged biomolecules, such as nucleic acids, is
crucial for their dynamics, structure, and interactions. Here, we develop an approach for the …

Deoxyribonucleic acid (DNA) is a fundamental biomolecule for correct cellular functioning
and regulation of biological processes. DNA's structure is dynamic and has the ability to …

Double-stranded DNA (dsDNA) and RNA (dsRNA) helices display an unusual structural
diversity. Some structural variations are linked to sequence and may serve as signaling units …

The structure of B-DNA, the physiological form of the DNA molecule, has been a central
topic in biology, chemistry and physics. Far from uniform and rigid, the double helix was …