Complex peptide macrocycle optimization: combining NMR restraints with conformational analysis to guide structure-based and ligand-based design.
Ajay N. JainAlexander C. BruecknerChristine JorgeAnn E. ClevesPurnima KhandelwalJanet Caceres CortesLuciano MuellerPublished in: J. Comput. Aided Mol. Des. (2023)