Computational insights into the interaction mechanism of triazolyl substituted tetrahydrobenzofuran derivatives with H+, K+-ATPase at different pH. - Hua-Jun Luo; Jun-Zhi Wang; Nian-Yu Huang; Wei-Qiao Deng; Kun Zou (J. Comput. Aided Mol. Des., 2016)

Accurate van der Waals force field for gas adsorption in porous materials. - Lei Sun; Li Yang; Ya-dong Zhang; Qi Shi; Rui-Feng Lu; Wei-Qiao Deng (J. Comput. Chem., 2017)