Constant pH molecular dynamics simulations: Current status and recent applications
Vinícius M. de Oliveira, Ruibin Liu, Jana Shen
Topics & Concepts
ProtonationMolecular dynamicsCurrent (fluid)Constant (computer programming)ProtonDynamics (music)Computer scienceFunction (biology)Statistical physicsChemical physicsChemistryComputational chemistryPhysicsBiologyThermodynamicsEvolutionary biologyOrganic chemistryQuantum mechanicsProgramming languageAcousticsIonSpectroscopy and Quantum Chemical StudiesProtein Structure and DynamicsElectron Spin Resonance Studies