Toward experiment-guided AlphaFold: Researchers overcome AI tool's single-conformation limitation

The AI-based program AlphaFold predicts a protein's 3D structure with remarkable accuracy. However, it tends to reduce heterogeneous structures to a single dominant conformation, or shape, and ...
Tech Xplore

Generative AI designs DNA origami to match user-drawn shapes automatically

A joint research team has developed an automated design technology that enables the creation of DNA origami structures that ...

Scientists find molecular-level evidence for two structures in liquid water

A study published in Nature Physics provides new molecular-level evidence from simulations that liquid water is not a single uniform substance, but a constantly shifting mixture of two distinct ...
Nature

Making samples one billion times bigger lets simple microscopes pinpoint amino acids

Stretching protein samples in all directions pulls molecules farther apart, allowing them to be visualized using only light ...
GitHub

RMD_Digging: A Toolkit to Remove the Barriers in the Way of Scientific Calculations and Analysis

RMD_Digging is developed by the MATLAB language. It is aimed to provide pre-processing and post-processing tools for the reactive molecular dynamics (ReaxFF) simulations performed on the LAMMPS ...