Researchers have developed a powerful computational tool, named iDOMO, to improve the prediction of drug synergy and accelerate the development of combination therapies for complex diseases. The study ...

Weak interactions in CO2 reduction shape catalyst performance, refining computational models and improving predictions for ...

This important study characterizes the mechanics and stability of bolalipids from archaeal membranes using molecular dynamics simulations. A mesoscale model of bolalipids is presented and evaluated ...