Dataset of protein-ligand complexes now available in the Registry of Open Data on AWS
This post was contributed by U. Deva Priyakumar, Rakesh Srivatsava, Prathit Chatterjee, Vladimir Aladinskiy, Ramanathan Sethuraman, Yusong Wang, Alex Iankoulski, and Beryl Rabindran Today, we’re excited to announce the release of a comprehensive dataset featuring molecular dynamics (MD) trajectories for over 16,000 protein-ligand complexes (PLCs). This dataset, now available on AWS as part of the […]