Novel Inhibitors of Human Histone Deacetylase (HDAC) Identified by QSAR Modeling of Known Inhibitors, Virtual Screening, and Experimental Validation. - Hao Tang; Xiang S. Wang; Xi-Ping Huang; Bryan L. Roth; Kyle V. Butler; Alan P. Kozikowski; Mira Jung; Alexander Tropsha (J. Chem. Inf. Model., 2009)

Allosteric ligands for the pharmacologically dark receptors GPR68 and GPR65. - Xi-Ping Huang; Joel Karpiak; Wesley K. Kroeze; Hu Zhu; Xin Chen 042; Sheryl S. Moy; Kara A. Saddoris; Viktoriya D. Nikolova; Martilias S. Farrell; Sheng Wang; Thomas J. Mangano; Deepak A. Deshpande; et al. (Nat., 2015)

Structure-based discovery of opioid analgesics with reduced side effects. - Aashish Manglik; Henry Lin; Dipendra K. Aryal; John D. McCorvy; Daniela Dengler; Gregory Corder; Anat Levit; Ralf C. Kling; Viachaslau Bernat; Harald Hübner; Xi-Ping Huang; Maria F. Sassano; et al. (Nat., 2016)

De Novo Design of κ-Opioid Receptor Antagonists Using a Generative Deep-Learning Framework. - Leslie Salas-Estrada; Davide Provasi; Xing Qiu; Husnu Ümit Kaniskan; Xi-Ping Huang; Jeffrey F. Diberto; João Marcelo Lamim Ribeiro; Jian Jin; Bryan L. Roth; Marta Filizola (J. Chem. Inf. Model., 2023)

RustMap: Towards Project-Scale C-to-Rust Migration via Program Analysis and LLM. - Xuemeng Cai; Jiakun Liu; Xiping Huang; Yijun Yu; Haitao Wu; Chunmiao Li; Bo Wang; Imam Nur Bani Yusuf; Lingxiao Jiang (CoRR, 2025)