An international team led by Einstein Professor Cecilia Clementi in the Department of Physics at Freie Universität Berlin has ...

Zhuoran Qiao has been awarded the inaugural Chen Institute and Science Prize for Al Accelerated Research for work critical to ...

For his work to help capture and view dynamic small-scale behaviors of biomolecules that have gone unseen – and which are critical to applications ...

High-resolution cryo-electron microscopy makes it possible to study complex enzymatic processes in detail. With this method, ...

High-resolution cryo-electron microscopy makes it possible to study complex enzymatic processes in detail. With this method, ...

Advancements in artificial intelligence (AI) are dramatically transforming the field of protein science, offering powerful ...

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 ...

Together, these advancements and the enhanced code base will enable more accurate identification and modeling of ligand conformational heterogeneity across a variety of ligands, leading to a better ...

In this study, we addressed the challenge of estimating binding free energies in complex biological systems of pharmaceutical relevance, including both protein–ligand and RNA-ligand complexes. As case ...

Dear AF3 team members, Thanks for providing such an outstanding software, and it helps us a lot. But recently, I've used AF3 to predict the complexes of diverse proteins and the same small molecular ...

While using AlphaFold3 for protein-ligand complex prediction, I noticed a significant difference in the results depending on the ligand input format. Specifically, when using the CCD format, the ipTM ...