| Accurate prediction of molecular properties and drug targets using a self-supervised image representation learning framework X Zeng, H Xiang, L Yu, J Wang, K Li, R Nussinov, F Cheng Nature Machine Intelligence 4 (11), 1004-1016, 2022 | 152 | 2022 |
| MUFFIN: multi-scale feature fusion for drug–drug interaction prediction Y Chen, T Ma, X Yang, J Wang, B Song, X Zeng Bioinformatics 37 (17), 2651-2658, 2021 | 150 | 2021 |
| A transformer-based model to predict peptide–HLA class I binding and optimize mutated peptides for vaccine design Y Chu, Y Zhang, Q Wang, L Zhang, X Wang, Y Wang, DR Salahub, Q Xu, ... Nature Machine Intelligence 4 (3), 300-311, 2022 | 121 | 2022 |
| VGG16-T: a novel deep convolutional neural network with boosting to identify pathological type of lung cancer in early stage by CT images S Pang, F Meng, X Wang, J Wang, T Song, X Wang, X Cheng International Journal of Computational Intelligence Systems 13 (1), 771-780, 2020 | 62 | 2020 |
| Deep generative model for drug design from protein target sequence Y Chen, Z Wang, L Wang, J Wang, P Li, D Cao, X Zeng, X Ye, T Sakurai Journal of Cheminformatics 15 (1), 38, 2023 | 43 | 2023 |
| De novo molecular design with deep molecular generative models for PPI inhibitors J Wang, Y Chu, J Mao, HN Jeon, H Jin, A Zeb, Y Jang, KH Cho, T Song, ... Briefings in Bioinformatics 23 (4), bbac285, 2022 | 38 | 2022 |
| Geometry-based molecular generation with deep constrained variational autoencoder C Li, J Yao, W Wei, Z Niu, X Zeng, J Li, J Wang IEEE transactions on neural networks and learning systems 35 (4), 4852-4861, 2022 | 35 | 2022 |
| Transformer-based molecular generative model for antiviral drug design J Mao, J Wang, A Zeb, KH Cho, H Jin, J Kim, O Lee, Y Wang, KT No Journal of chemical information and modeling 64 (7), 2733-2745, 2023 | 32 | 2023 |
| A spatial-temporal gated attention module for molecular property prediction based on molecular geometry C Li, J Wang, Z Niu, J Yao, X Zeng Briefings in Bioinformatics 22 (5), bbab078, 2021 | 32 | 2021 |
| Pretraining model for biological sequence data B Song, Z Li, X Lin, J Wang, T Wang, X Fu Briefings in functional genomics 20 (3), 181-195, 2021 | 31 | 2021 |
| Molormer: a lightweight self-attention-based method focused on spatial structure of molecular graph for drug–drug interactions prediction X Zhang, G Wang, X Meng, S Wang, Y Zhang, A Rodriguez-Paton, ... Briefings in Bioinformatics 23 (5), bbac296, 2022 | 30 | 2022 |
| Design and linkage optimization of ursane-thalidomide-based PROTACs and identification of their targeted-degradation properties to MDM2 protein Z Qi, G Yang, T Deng, J Wang, H Zhou, SA Popov, EE Shults, C Wang Bioorganic Chemistry 111, 104901, 2021 | 26 | 2021 |
| Explore drug-like space with deep generative models J Wang, J Mao, M Wang, X Le, Y Wang Methods 210, 52-59, 2023 | 22 | 2023 |
| Application of a deep generative model produces novel and diverse functional peptides against microbial resistance J Mao, S Guan, Y Chen, A Zeb, Q Sun, R Lu, J Dong, J Wang, D Cao Computational and Structural Biotechnology Journal 21, 463-471, 2023 | 16 | 2023 |
| A multimodal deep learning framework for predicting PPI-modulator interactions H Sun, J Wang, H Wu, S Lin, J Chen, J Wei, S Lv, Y Xiong, DQ Wei Journal of chemical information and modeling 63 (23), 7363-7372, 2023 | 7 | 2023 |
| Antibody drug conjugates: The forefront of targeted chemotherapy for cancer treatment Z Wang, N Guravaiah, C Ning, Y He, L Yao, J Wang, N Yu Journal of Drug Design and Research 2, 2-9, 2015 | 7 | 2015 |
| Accurate prediction of molecular targets using a self-supervised image representation learning framework X Zeng, H Xiang, L Yu, J Wang, K Li, R Nussinov, F Cheng Research square, rs. 3. rs-1477870, 2022 | 6 | 2022 |
| Exploring the conformational ensembles of protein–protein complex with transformer-based generative model J Wang, X Wang, Y Chu, C Li, X Li, X Meng, Y Fang, KT No, J Mao, ... Journal of chemical theory and computation 20 (11), 4469-4480, 2024 | 5 | 2024 |
| iupacGPT: IUPAC-based large-scale molecular pre-trained model for property prediction and molecule generation J Mao, J Wang, KH Cho, KT No | 5 | 2023 |
| Interface-aware molecular generative framework for protein–protein interaction modulators J Wang, J Mao, C Li, H Xiang, X Wang, S Wang, Z Wang, Y Chen, Y Li, ... Journal of Cheminformatics 16 (1), 142, 2024 | 4 | 2024 |
