Biomolecular interactions underpin most processes inside the cell. Hence, a precise and
quantitative understanding of molecular association and dissociation events is crucial, not …

DNA carries the genetic information required for the synthesis of RNA and proteins and
plays an important role in many processes of biological development. Understanding the …

Our quantum chemical analyses elucidated how the replacement of O in the amide bonds of
benzene‐1, 3‐5‐tricarboxamides (OBTAs) with the larger chalcogens S and Se enhances …

Abstract The Watson-Crick base pairing property of DNA is widely used for fabricating DNA
nanostructures with well-defined geometry. Moreover, DNA nanostructures can be easily …

DNA is a complex multi-resolution molecule whose theoretical study is a challenge. Its
intrinsic multiscale nature requires chemistry and quantum physics to understand the …

Non-frontier atom exchanges in hydrogen-bonded aromatic dimers can induce significant
interaction energy changes (up to 6.5 kcal mol− 1). Our quantum-chemical analyses reveal …

Maintaining genome integrity is vital for organismal survival and reproduction. Essential,
broadly conserved DNA repair pathways actively preserve genome integrity. However, many …

Rigid, linear π‐conjugated acetylene linkers connecting a hydrogen‐bond acceptor to a
hydrogen‐bond donor are established building blocks for self‐assembled hydrogen …

We have quantum chemically investigated the origin of the atypical blueshift of the H− C
bond stretching frequency in the hydrogen‐bonded complex X−••• H3C− Y (X, Y= F, Cl, Br, I) …

Biomimetic and biohybrid micro/nano‐structures involve the replication and creation of
technologies, structures, and materials based on biological systems at the micrometer and …