Pairwise-additive and polarizable atomistic force fields for molecular dynamics simulations of proteins

Justin A. Lemkul

2020Progress in molecular biology and translational science30 citationsDOI

Topics & Concepts

Force field (fiction)PolarizabilityStatistical physicsMolecular dynamicsPhysicsProtein foldingPolarization (electrochemistry)Partial chargeClassical mechanicsCharge (physics)Computational chemistryChemistryQuantum mechanicsMoleculeNuclear magnetic resonancePhysical chemistryProtein Structure and DynamicsAdvanced Chemical Physics StudiesEnzyme Structure and Function