The evolution of the SARS‐CoV‐2 new variants reported to be 70% more contagious than
the earlier one is now spreading fast worldwide. There is an instant need to discover how the …

Molecular-dynamics simulations are used to show that strongly interacting dipolar spheres
can form a ferroelectric nematic phase. This is the first demonstration that dipolar forces alone …

Membrane-active antimicrobial peptides (AMPs) are challenging to study experimentally, but
relatively easy to investigate using molecular dynamics (MD) computer simulations. For this …

Severe acute respiratory syndrome (SARS) is a respiratory disease caused by a newly
found virus, called SARS coronavirus. In this study, the cleavage mechanism of the SARS …

In order to stimulate the development of drugs against severe acute respiratory syndrome (SARS),
based on the atomic coordinates of the SARS coronavirus main proteinase …

Molecular-dynamics simulation results are reported for systems of strongly interacting dipolar
soft spheres. Calculations have been carried out along two isotherms and the structure of …

π–π Interaction is a direct attractive non-covalent interaction between aromatic moieties,
playing an important role in DNA stabilization, drug intercalation, etc. Aromatic rings interact …

Background: There are ever increasing researches implying that noncoded RNAs (ncRNAs)
specifically circular RNAs (circRNAs) and microRNAs (miRNAs) in exosomes play vital …

Monkeypox (MPXV) is a globally growing public health concern with 80,328 active cases and
53 deaths have been reported. No specific vaccine or drug is available for the treatment of …

In this paper the ab initio potential of mean force for the formic acid–water system is calculated
in a Monte Carlo simulation using a classical fluctuating charge molecular mechanics …