The ability of small molecules to perturb the natural structure and dynamics of nucleic acids
is intriguing and has potential applications in cancer therapeutics. Intercalation is a special …

Increasing numbers of DNA structures are being revealed using biophysical, spectroscopic
and genomic methods. The diversity of transition metal complexes is also growing, as the …

The drawbacks of the platinum chemotherapy agents cisplatin, carboplatin and oxaliplatin
have inspired the development of compounds with different mechanisms of action …

The right-handed DNA helix exhibits two major conformations, A-DNA and B-DNA,
depending on the environmental conditions. The B-DNA to A-DNA (B→ A) transition is …

There are certain small molecules that exhibit extraordinarily diverse biological activities.
Metformin is one of them. It is widely used as an antidiabetic drug for type-two diabetes …

Estimation of configurational entropy from molecular dynamics trajectories is a difficult task
which is often performed using quasi-harmonic or histogram analysis. An entirely different …

DNA intercalation is a clinically relevant biophysical process due to its potential to inhibit the
growth and survival of tumor cells and microbes through the arrest of the transcription and …

DNA intercalation, a biophysical process of enormous clinical significance, has surprisingly
eluded molecular understanding for several decades. With appropriate configurational …

All processes involving molecular systems entail a balance between associated enthalpic
and entropic changes. Molecular dynamics simulations of the end‐points of a process …

Entropy calculation is an important step in the postprocessing of molecular dynamics
trajectories or predictive models. In recent years the nearest neighbor method has emerged …