text: Combining quantum mechanical ligand conformation analysis and protein modeling to elucidate GPCR-ligand binding modes.
  SAR beyond protein-ligand interactions: By combining structure-affinity relationships, protein-ligand modeling studies, and quantum mechanical calculations, we show that ligand conformational energies and basicity play critical roles in ligand binding to the histamine H4 receptor, a GPCR that plays a key role in inflammation.
entities.id: T1 T2 T3 T4
entities.type: CHEMICAL GENE-Y GENE-N GENE-N
entities.text: histamine histamine H4 receptor GPCR GPCR