Binding peptides to proteins

3figsFromKen052118gangedUpDo you know roughly the site on a protein to which a peptide ligand binds?  Do you want to know the pose and the binding affinity?  MELDxMD can often do this [Morrone et al. Molecular simulations identifybinding poses and approximate affinities of stapled α‑helical peptides to MDM2 and MDMX, J Chem Theory Comput, 2017; Morrone et al. Computed binding of peptides to proteins with MELD-accelerated molecular dynamics, J Chem Theory Comput, 2017].