TY  - RPRT
TI  - Extending quantum-mechanical benchmark accuracy to biological ligand-pocket interactions
AU  - Puleva, Mirela [University of Luxembourg, Luxembourg City, (Luxembourg); University of Luxembourg, Esch-sur-Alzette, (Luxembourg)] (ORCID:0000000198536775)
AU  - Medrano Sandonas, Leonardo [University of Luxembourg, Luxembourg City, (Luxembourg); Technische Universität Dresden (Germany)] (ORCID:0000000276733142)
AU  - Lőrincz, Balázs D. [Budapest University of Technology and Economics (Hungary); HUN-REN-BME Quantum Chemistry Research Group, Budapest (Hungary); MTA-BME Lendület Quantum Chemistry Research Group, Budapest (Hungary)]
AU  - Charry, Jorge [University of Luxembourg, Luxembourg City, (Luxembourg); Luxembourg Researchers Hub asbl, Esch-sur-Alzette (Luxembourg)] (ORCID:0000000330692522)
AU  - Rogers, David M. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). National Center for Computational Sciences (NCCS)] (ORCID:0000000251871768)
AU  - Nagy, Péter R. [Budapest University of Technology and Economics (Hungary); HUN-REN-BME Quantum Chemistry Research Group, Budapest (Hungary); MTA-BME Lendület Quantum Chemistry Research Group, Budapest (Hungary)] (ORCID:0000000166920879)
AU  - Tkatchenko, Alexandre [University of Luxembourg, Luxembourg City, (Luxembourg); University of Luxembourg, Esch-sur-Alzette, (Luxembourg)] (ORCID:0000000210124854)
PY  - 2025
DO  - 10.1038/s41467-025-63587-9
UR  - https://www.osti.gov/biblio/3002399
ID  - 3002399
ER  -