Drug-like Density: A Method of Quantifying the "Bindability" of a Protein Target Based on a Very Large Set of Pockets and Drug-like Ligands from the Protein Data Bank. - Robert P. Sheridan; Vladimir N. Maiorov; M. Katharine Holloway; Wendy D. Cornell; Ying-Duo Gao (J. Chem. Inf. Model., 2010)

Performance of multiple docking and refinement methods in the pose prediction D3R prospective Grand Challenge 2016. - Xavier Fradera; Andreas Verras; Yuan Hu 002; Deping Wang; Hongwu Wang; James I. Fells; Kira A. Armacost; Alejandro Crespo; Brad Sherborne; Huijun Wang; Zhengwei Peng; Ying-Duo Gao (J. Comput. Aided Mol. Des., 2018)

Workflows and performances in the ranking prediction of 2016 D3R Grand Challenge 2: lessons learned from a collaborative effort. - Ying-Duo Gao; Yuan Hu 002; Alejandro Crespo; Deping Wang; Kira A. Armacost; James I. Fells; Xavier Fradera; Hongwu Wang; Huijun Wang; Brad Sherborne; Andreas Verras; Zhengwei Peng (J. Comput. Aided Mol. Des., 2018)

Prediction of the Favorable Hydration Sites in a Protein Binding Pocket and Its Application to Scoring Function Formulation. - Yan Li 051; Yingduo Gao; M. Katharine Holloway; Renxiao Wang (J. Chem. Inf. Model., 2020)

Augmenting Hit Identification by Virtual Screening Techniques in Small Molecule Drug Discovery. - Xin Cindy Yan; John M. Sanders; Ying-Duo Gao; Matthew Tudor; Andrew M. Haidle; Daniel J. Klein; Antonella Converso; Charles A. Lesburg; Yi Zang; Harold B. Wood (J. Chem. Inf. Model., 2020)