Binding Sites 2 Computer Simulation 2 Ligand migration 2 Ligands 2 Models, Molecular 2 Molecular Dynamics Simulation 2 Molecular dynamics 2 Pichia angusta 2 Protein dynamics 2 Proteins 2 accelerated molecular dynamics 2 activated molecular dynamics 2 amine oxidase (copper containing) 2 catalase 2 computer simulation 2 conformational transition 2 cytochrome P450 2 dehalogenase 2 hemoglobin 2 hemoprotein 2 human 2 hydrogenase 2 hydrolase 2 implicit ligand sampling 2 ligand 2 ligand binding 2 ligand migration 2 locally enhanced sampling 2 mathematical analysis 2 metadynamics 2