Calculating the binding free energy of integral transmembrane (TM) proteins is crucial for
understanding the mechanisms by which they recognize one another and reversibly …

Introduction The emergence of new severe acute respiratory syndrome coronavirus 2 (SARS-
CoV-2) variants has caused unprecedented health and socioeconomic crises, necessitating …

In vaccine development, many use the spike protein (S protein), which has multiple “spike-
like” structures protruding from the spherical structure of the coronavirus, as an antigen …

Current trends in molecular modelling are geared towards increasingly realistic
representations of the modelled systems. This is reflected in larger, more complex systems …

In recent years, the world has witnessed in the emergence of several infectious diseases,
with notable examples being coronavirus disease 2019 (COVID-19), avian influenza, and …

The knowledge of COVID-19 impact on the human body has increased rapidly. Although
many people recover from COVID-19, some continue to experience persistent symptoms …

Viral infections are a major global health concern, affecting millions of people each year.
Viral entry is one of the crucial stages in the infection process, but its details remain elusive …

Biological membranes form the structural boundaries and compartments of cells, owing to
their robustness and impermeability facilitated by phospholipid bilayers. The strength of …