Per|Mut: Spatially Resolved Hydration Entropies from Atomistic Simulations
Leonard P. Heinz, Helmut Grubmüller
Abstract
-alkanes, and solvated octanol.
Topics & Concepts
Molecular dynamicsStatistical physicsChemical physicsMaterials scienceChemistryPhysicsComputational chemistryProtein Structure and DynamicsMaterial Dynamics and PropertiesPhase Equilibria and Thermodynamics