Impact of Ribosomal Modification on the Binding of the Antibiotic Telithromycin Using a Combined Grand Canonical Monte Carlo/Molecular Dynamics Simulation Approach. - Meagan C. Small; Pedro E. M. Lopes; Rodrigo B. Andrade; Alexander D. MacKerell Jr. (PLoS Comput. Biol., 2013)

Drude polarizable force field for aliphatic ketones and aldehydes, and their associated acyclic carbohydrates. - Meagan C. Small; Asaminew H. Aytenfisu; Fang-Yu Lin; Xibing He; Alexander D. MacKerell Jr. (J. Comput. Aided Mol. Des., 2017)