Publications
Up-to-date publications & statistics on Google Scholar
(Last Updated: Jan. 2022)
2022
Wang, Y., Walker, B. D., Liu, C. and Ren, P.$^*$, An Efficient Approach to Large-Scale Ab Initio Conformational Energy Profiles of Small Molecules. Molecules, 2022, 27, 8567. [CrossRef]
Li, M.$^\dagger$, Hu, J.$^\dagger$, Wang, Y., Li, Y., Zhang, L.$^*$ and Liu, Z.$^*$, Challenging Reverse Screening: A Benchmark Study for Comprehensive Evaluation. Mol. Inform., 2022, 41, 2100063. [CrossRef]
2021
- Lai, J.$^\dagger$, Li, X.$^\dagger$, Wang, Y., Yin, S., Zhou, J.$^*$ and Liu, Z.$^*$, AIScaffold: A Web-Based Tool for Scaffold Diversification Using Deep Learning. J. Chem. Inf. Model., 2021, 61, 1-6. [CrossRef]
2020
Xia, X.$^\dagger$, Hu, J.$^\dagger$, Wang, Y., Zhang, L.$^*$ and Liu, Z.$^*$, Graph-based generative models for de novo drug design. Drug Discovery Today: Technol., 2019, 32, 45-53. [CrossRef]
Lai, J.$^\dagger$, Hu, J.$^\dagger$, Wang, Y., Zhou, X., Li, Y., Zhang, L.$^*$ and Liu, Z.$^*$, Privileged Scaffold Analysis of Natural Products with Deep Learning‐based Indication Prediction Model. Mol. Inf., 2020, 39, 2000057. [CrossRef] [GitHub]
Wang, Y.$^\dagger$, Hu, J.$^\dagger$, Lai, J., Li, Y., Jin, H., Zhang, L., Zhang, L.$^*$ and Liu, Z.$^*$, TF3P: Three-dimensional Force Fields Fingerprint Learned by Deep Capsular Network. J. Chem. Inf. Model., 2020, 60, 2754-2765. [CrossRef] [arXiv.org] [GitHub]
Li, Y.$^\dagger$, Hu, J.$^\dagger$, Wang, Y., Zhou, J.$^*$, Zhang, L.$^*$, Liu, Z.$^*$, DeepScaffold: a comprehensive tool for scaffold-based de novo drug discovery using deep learning. J. Chem. Inf. Model., 2020, 60, 77-91. [CrossRef] [arXiv.org] [GitHub]
2019
Xue, Y.$^\dagger$, He, X.$^\dagger$, Yang, T., Wang, Y., Liu, Z., Zhang, G., Wang, Y., Wang, K.$^*$, Zhang, L.$^*$, Zhang, L., Discovery of fused heterocyclic carboxamide derivatives as novel $\alpha$7-nAChR agonists: Synthesis, preliminary SAR and biological evaluation. Euro. J. Med. Chem., 2019, 182, 111618. [CrossRef]
Dou, X., Huang, H., Li, Y., Jiang, L., Wang, Y., Jin, H., Jiao, N., Zhang, L., Zhang, L.$^*$, Liu, Z.$^*$, Multistage Screening Reveals 3-substituted Indolin-2-one Derivatives as Novel and Isoform Selective c-Jun N-terminal kinase 3 (JNK3) Inhibitors: Implications to Drug Discovery for Potential Treatment of Neurodegenerative Diseases. J. Med. Chem., 2019, 14, 6645-6664. [CrossRef]
Wang, Y.$^\dagger$, Dou, X.$^\dagger$, Jiang, L., Jin, H., Zhang, L., Zhang, L.$^*$ and Liu, Z.$^*$, Discovery of novel glycogen synthase kinase-3$\alpha$ inhibitors: Structure-based virtual screening, preliminary SAR and biological evaluation for treatment of acute myeloid leukemia. Euro. J. Med. Chem., 2019, 171, 221-234. [CrossRef]
2018
Hu, L.$^\dagger$, Liu, Y.$^\dagger$, Wang, Y., Wang, Z., Huang, J., Xue, Y., Liu, J., Liu, Z.$^*$, Chen, Y.$^*$ and Zhang, Y.$^*$, Discovery of acylphloroglucinol-based meroterpenoid enantiomers as KSHV inhibitors from Hypericum japonicum. RSC adv., 2018, 8, 24101-24109. [CrossRef]
Dou, X.$^\dagger$, Jiang, L.$^\dagger$, Wang, Y., Jin, H., Liu, Z.$^*$ and Zhang, L.$^*$, Discovery of new GSK-3$\beta$ inhibitors through structure-based virtual screening. Bioorg. Med. Chem. Lett, 2018, 28, 160-166. [CrossRef]