Insulin is a peptide hormone known for chiefly regulating glucose level in blood among
several other metabolic processes. Insulin remains the most effective drug for treating …

The role of water in biological processes is studied in three reactions, namely, the Fe-CO
bond rupture in myoglobin, GB1 unfolding, and insulin dimer dissociation. We compute both …

Association and dissociation of proteins are important biochemical events. In this Feature
Article, we analyze the available studies of these processes for insulin oligomers in aqueous …

A theory of barrier crossing rate on a multidimensional reaction energy surface is presented.
The theory is a generalization of the earlier theoretical schemes to higher dimensions, with …

The slow power law decay of the velocity autocorrelation function of a particle moving
stochastically in a condensed-phase fluid is widely attributed to the momentum that fluid …

Diffusion in a multidimensional energy surface with minima and barriers is a problem of
importance in statistical mechanics and it also has wide applications, such as protein …

Nonequilibrium statistical mechanics (NESM), practically synonymous with time-dependent
statistical mechanics (TDSM), is a beautiful and profound subject, vast in scope, diverse in …

We present an in-depth study on the theoretical calculation of an optimum reaction
coordinate as a linear or nonlinear combination of important collective variables (CVs) …

The growing interest in the dynamics of self-driven particle motion has brought increased
attention to the effects of non-thermal noise on condensed phase diffusion. Thanks to data …

The task of a first principles theoretical calculation of the rate of gas–liquid nucleation has
remained largely incomplete despite the existence of reliable results from unbiased …