Time-dependent density functional theory study on the electronic excited-state hydrogen-bonding dynamics of 4-aminophthalimide (4AP) in aqueous solution: 4AP and 4AP-(H2O)1, 2 clusters. - Rui Wang; Ce Hao; Peng Li; Ning-Ning Wei; Jingwen Chen; Jieshan Qiu (J. Comput. Chem., 2010)

Time-dependent density functional theory study on excited-state dihydrogen bonding O-H***H-Ge of the dihydrogen-bonded phenol-triethylgermanium complex. - Ning-Ning Wei; Ce Hao; Zhilong Xiu; Jingwen Chen; Jieshan Qiu (J. Comput. Chem., 2010)

Ligand-Based Virtual Screening Approach Using a New Scoring Function. - Adel Hamza; Ning-Ning Wei; Chang-Guo Zhan (J. Chem. Inf. Model., 2012)

Application of the 4D Fingerprint Method with a Robust Scoring Function for Scaffold-Hopping and Drug Repurposing Strategies. - Adel Hamza; Jonathan M. Wagner; Ning-Ning Wei; Stefan Kwiatkowski; Chang-Guo Zhan; David S. Watt; Konstantin V. Korotkov (J. Chem. Inf. Model., 2014)

SABRE: Ligand/Structure-Based Virtual Screening Approach Using Consensus Molecular-Shape Pattern Recognition. - Ning-Ning Wei; Adel Hamza (J. Chem. Inf. Model., 2014)