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 ...

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 ...

Borch Department of Medicinal Chemistry and Molecular Pharmacology, Purdue Institute for Drug Discovery, Purdue University, West Lafayette, Indiana 47907, United States ...