Spatially resolved free-energy contributions of native fold and molten-globule-like Crambin
Leonard P. Heinz, Helmut Grubmüller
Abstract
. Remarkably, more than half of the solvent entropy contribution arose from induced water correlations.
Topics & Concepts
ChemistryProtein foldingEnthalpyThermodynamicsMolten globuleMolecular dynamicsSolventNative stateEntropy (arrow of time)Denaturation (fissile materials)CrystallographyEnergy landscapeConformational entropyChemical physicsComputational chemistryMoleculeOrganic chemistryBiochemistryPhysicsNuclear chemistryProtein Structure and DynamicsSpectroscopy and Quantum Chemical StudiesMaterial Dynamics and Properties