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)

Insights into substrate recognition and specificity for IgG by Endoglycosidase S2. - Asaminew H. Aytenfisu; Daniel Deredge; Erik H. Klontz; Jonathan Du; Eric J. Sundberg; Alexander D. MacKerell Jr. (PLoS Comput. Biol., 2021)