Molecular Dynamics-Based Virtual Screening: Accelerating the Drug Discovery Process by High-Performance Computing. - Hu Ge; Yu Wang; Chanjuan Li; Nanhao Chen; Yufang Xie; Mengyan Xu; Yingyan He; Xinchun Gu; Ruibo Wu; Qiong Gu; Liang Zeng; Jun Xu 017 (J. Chem. Inf. Model., 2013)

Molecular Dynamics Simulations Elucidate Conformational Dynamics Responsible for the Cyclization Reaction in TEAS. - Fan Zhang; Nanhao Chen; Ruibo Wu (J. Chem. Inf. Model., 2016)