Structural Refinement of Proteins by Restrained Molecular Dynamics Simulations with Non-interacting Molecular Fragments - Shen, Rong; Han, Wei; Fiorin, Giacomo; Islam, Shahidul M.; Schulten, Klaus; Roux, Benoît (PLoS computational biology, 2015)
Keywords: Algorithms; Experiments; Histograms; Membrane Transport Proteins - chemistry; Membrane Transport Proteins - ultrastructure; Methods; Models, Chemical; Molecular Dynamics Simulation; Mutation; Protein Binding; Protein Conformation; Protein Structure, Tertiary; Proteins; Spectrum analysis