Identification and characterization of fragment binding sites for allosteric ligand design using the site identification by ligand competitive saturation hotspots approach (SILCS-Hotspots)
Alexander D. MacKerell, Sunhwan Jo, Sirish Kaushik Lakkaraju, Christoffer Lind, Wenbo Yu
Topics & Concepts
Allosteric regulationBinding siteComputational biologyLigand (biochemistry)Drug discoveryLigand efficiencyChemistryG protein-coupled receptorBiologyReceptorBiochemistryReceptor Mechanisms and SignalingComputational Drug Discovery MethodsEstrogen and related hormone effects