Application of Mixed-Solvent Molecular Dynamics Simulations for Prediction of Allosteric Sites on G Protein–Coupled Receptors
Wallace Chan, Heather A. Carlson, John R. Traynor
Topics & Concepts
Allosteric regulationDruggabilityG protein-coupled receptorDrug discoveryComputational biologyReceptorChemistryAllosteric modulatorBiologyBiochemistryGeneReceptor Mechanisms and SignalingNeuropeptides and Animal PhysiologyComputational Drug Discovery Methods