Theoretical elucidation of the rhodium-catalyzed [4 + 2] annulation reactions. - Cai-Yun Geng; Ji-Lai Li; Xu-Ri Huang; Hui-Ling Liu; Zhuo Li; Chia-Chung Sun (J. Comput. Chem., 2008)

Conformational transition pathway in the allosteric process of calcium-induced recoverin: Molecular dynamics simulations. - Ji-Lai Li; Cai-Yun Geng; Yuxiang Bu; Xu-Ri Huang; Chia-Chung Sun (J. Comput. Chem., 2009)

Absorption and fluorescence emission spectroscopic characters of naphtho-homologated yy-DNA bases and effect of methanol solution and base pairing. - Laibin Zhang; Huifang Li; Ji-Lai Li; Xiaohua Chen; Yuxiang Bu (J. Comput. Chem., 2010)