The graphite found in your favorite pencil could have instead been the diamond your mother always wears. What made the difference? Researchers are finding out.

Molecular dynamics model uses topological order parameter to show stratification of water molecules based on density.

A major scientific advance in protein modeling developed by Microsoft Research AI for Science, has been published in Science.

A newly developed generative AI model is helping researchers explore protein dynamics with increased speed. The deep learning system, called BioEmu, predicts the full range of conformations a protein ...

Home > Press release: New Study on Understanding How Proteins ...

Microsoft's new AI system BioEmu will help decode protein motion and help in faster discovery of drugs, said CEO Satya ...

The graphite found in your favorite pencil could have instead been the diamond your mother always wears. What made the ...

Water is the most prevalent component of biomolecular simulations - from protein ensembles to nucleic acids - and ...

Here we use cryogenic electron microscopy to determine the structure of TbAQP2 from Trypanosoma brucei, bound to either the substrate glycerol or to the sleeping sickness drugs, pentamidine or ...

This "molecular dynamics simulation," based on actual physical features of the Spike protein, allowed them to generate "synthetic data" in which they could glean regions in the so-called S2 ...

The mobility and diffusion coefficient of an electron in nonpolar hydrocarbon liquid is calculated by molecular dynamics (MD) simulation in 3-D. An electron bubble (EB) model is introduced as an ...