Structure of POPC Lipid Bilayers in OPLS3e Force Field
Milla Kurki, Antti Poso, Piia Bartos, Markus S. Miettinen
Abstract
in the surrounding solvent, which might cause issues in systems sensitive to correct charge distribution profiles across the membrane.
Topics & Concepts
POPCForce field (fiction)Lipid bilayerChemistryMolecular dynamicsMembraneChemical physicsBilayerPotential of mean forceBiological membraneComputational chemistryPhysicsBiochemistryQuantum mechanicsLipid Membrane Structure and BehaviorProtein Structure and DynamicsNanopore and Nanochannel Transport Studies