Calculating the absolute binding free energy of the insulin dimer in an explicit solvent
Qiankun Gong, Haomiao Zhang, Haozhe Zhang, Changjun Chen
Abstract
, for the dimerization of the insulin. We also perform MM-PBSA calculations for the wild-type dimer and some mutants and study the roles of the key residues by the change of the binding energy of the insulin dimer.
Topics & Concepts
DimerSolventAbsolute (philosophy)ChemistryInsulinOrganic chemistryMedicineInternal medicinePhilosophyEpistemologyProtein Structure and DynamicsAnalytical Chemistry and ChromatographyLipid Membrane Structure and Behavior