Structure Determination of Challenging Protein-Peptide Complexes Combining NMR Chemical Shift Data and Molecular Dynamics Simulations. - Arup Mondal; G. V. T. Swapna; Maria M. Lopez; Laura Klang; Jingzhou Hao; Lichung Ma; Monica J. Roth; Gaetano T. Montelione; Alberto Perez (J. Chem. Inf. Model., 2023)