Open Molecules 2025, an unprecedented dataset of molecular simulations, has been released to the scientific community, paving ...

These methods include computational chemistry based on quantum mechanics, force field models based on statistical mechanics, molecular dynamics and Monte Carlo simulation, and mesoscopic ...

Molecular modelling encompasses all theoretical methods and computational techniques used to mimic and study the structure and behaviour of molecules, ranging from small chemical systems to large ...

More than 100 experts in molecular simulation, coordinated by IRB Barcelona, have published an article in Nature Methods ...

dedicated to interdisciplinary approaches in molecular modeling, the staff of the Faculty of Biology of Moscow State University, headed by Professor of the Faculty of Biology of Moscow State ...

The new porous material for capturing carbon dioxide, called a covalent organic framework (COF), has hexagonal channels decorated with polyamines that efficiently bind CO 2 molecules (blue and ...

Numerous studies have suggested the cultivation of cells derived from intestinal organoids as two-dimensional (2D) monolayers ...

And given the role of sneezing in pathogen transmission, a better understanding of the molecular underpinnings of the phenomenon could one day help scientists mitigate or treat infectious diseases.