Moreover, such models overlook the spatial structure of protein-ligand complexes, resulting in weaker generalization. To address these issues, we propose Non-covalent Interaction-aware Graph Neural ...

TUM School of Natural Sciences, Department of Chemistry, WACKER-Chair of Macromolecular Chemistry, Technical University of Munich, Germany, Lichtenbergstraße 4, Garching 85748, Germany ...

Ministry of Education Key Laboratory of Cluster Science, Beijing Key Laboratory of Photoelectronic/Electrophotonic Conversion Materials, Frontiers Science Center for ...

Building a strong professional network can be the key to unlocking new career opportunities, gaining insider knowledge, and securing referrals that set you apart from other candidates. Networking ...