Inserting Small Molecules across Membrane Mixtures: Insight from the Potential of Mean Force
Alessia Centi, Arghya Dutta, Sapun H. Parekh, Tristan Bereau
Topics & Concepts
Potential of mean forceMolecular dynamicsMembraneChemistryChemical physicsLipid bilayerBilayerUmbrella samplingWork (physics)Phase (matter)Small moleculeBiological systemMoleculeComputational chemistryThermodynamicsPhysicsOrganic chemistryBiologyBiochemistryLipid Membrane Structure and BehaviorForce Microscopy Techniques and ApplicationsSpectroscopy and Quantum Chemical Studies