A computer-aided approach to identify novel Leishmania major protein disulfide isomerase inhibitors for treatment of leishmaniasis. - Noureddine Ben Khalaf; Susie Pham; Giuseppe Romeo; Sara Abdelghany; Sebastiano Intagliata; Peter Sedillo; Loredana Salerno; Jessica Gonzales; Dahmani M. Fathallah; Douglas J. Perkins; Ivy Hurwitz; Valeria Pittalà (J. Comput. Aided Mol. Des., 2021)