Molecular dynamics: a powerful tool for studying the medicinal chemistry of ion channel modulators
Daniel Șterbuleac
Abstract
The most important fields of molecular dynamics involved in investigating the interactions between chemical compounds and ion channels are reviewed, and a selection of case studies and their approaches is analysed and put into context.
Topics & Concepts
Context (archaeology)Molecular dynamicsIon channelDynamics (music)Selection (genetic algorithm)Channel (broadcasting)ChemistryIonNanotechnologyBiochemical engineeringComputer scienceComputational biologyChemical physicsComputational chemistryPhysicsMaterials scienceBiologyEngineeringTelecommunicationsMachine learningBiochemistryAcousticsReceptorOrganic chemistryPaleontologyIon channel regulation and functionMass Spectrometry Techniques and ApplicationsNeuroscience and Neuropharmacology Research