New insights into the stereochemical requirements of the bradykinin B2 receptor antagonists binding. - Cecylia S. Lupala; Patricia Gómez-Gutiérrez; Juan Jesús Pérez (J. Comput. Aided Mol. Des., 2016)

Discovery of new selective antagonists of G-protein coupled receptors of therapeutic interest. - Cecylia S. Lupala (2016)

Computational simulations reveal the binding dynamics between human ACE2 and the receptor binding domain of SARS-CoV-2 spike protein. - Cecylia S. Lupala; Xuanxuan Li; Jian Lei; Hong Chen; Jianxun Qi; Haiguang Liu; Xiao-dong Su (Quant. Biol., 2021)

Computational insights into differential interaction of mammalian angiotensin-converting enzyme 2 with the SARS-CoV-2 spike receptor binding domain. - Cecylia S. Lupala; Vikash Kumar; Xiao-dong Su; Chun Wu; Haiguang Liu (Comput. Biol. Medicine, 2022)

Assessing the inhibition efficacy of clinical drugs against the main proteases of SARS-CoV-2 variants and other coronaviruses. - Wenlong Zhao 014; Cecylia S. Lupala; Shifeng Hou; Shuxin Yang; Ziqi Yan; Shujie Liao; Xuefei Li; Nan Li (Quant. Biol., 2024)