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

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

More than a hundred experts in molecular simulation have published a paper in the journal Nature Methods calling for a paradigm shift in molecular dynamics data management.

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 ...

A revolutionary chatbot from Emory University transforms molecular simulations, empowering students and scientists to visualize complex chemistry in motion without writing a single line of code.

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

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 ...

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

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 ...

A group of researchers in the lab of Prof. Lucía Chávez Gutiérrez (VIB-KU Leuven) has unraveled the genetic contributions to ...