Induced Polarization in Molecular Dynamics Simulations of the 5-HT <sub>3</sub> Receptor Channel
Gianni Klesse, Shanlin Rao, Stephen J. Tucker, Mark S.P. Sansom
Abstract
while it permeates the pore. These results demonstrate that induced polarization can influence the complex behavior of water and ions within nanoscale pores and provides important new insights into their chemical properties.
Topics & Concepts
ChemistryMolecular dynamicsPolarization (electrochemistry)Channel (broadcasting)5-HT receptorReceptorBiophysicsChemical physicsComputational chemistryBiochemistryPhysical chemistryTelecommunicationsSerotoninBiologyComputer scienceNicotinic Acetylcholine Receptors StudyIon channel regulation and functionMass Spectrometry Techniques and Applications