A Data-Driven Dimensionality Reduction Approach to Compare and Classify Lipid Force Fields
Riccardo Capelli, Andrea Gardin, Charly Empereur‐mot, Giovanni Doni, Giovanni M. Pavan
Abstract
explicit solvent FFs.
Topics & Concepts
Molecular dynamicsContext (archaeology)Dimensionality reductionCurse of dimensionalityPOPCForce field (fiction)Computer scienceStatistical physicsObservableKernel (algebra)Lipid bilayerBiological systemAlgorithmPhysicsChemistryMathematicsArtificial intelligenceComputational chemistryMembraneBiologyBiochemistryCombinatoricsQuantum mechanicsPaleontologyLipid Membrane Structure and BehaviorProtein Structure and DynamicsForce Microscopy Techniques and Applications