| CHARMM36m: an improved force field for folded and intrinsically disordered proteins J Huang, S Rauscher, G Nawrocki, T Ran, M Feig, BL De Groot, ... Nature methods 14 (1), 71-73, 2017 | 4199 | 2017 |
| Profiling PRMT methylome reveals roles of hnRNPA1 arginine methylation in RNA splicing and cell growth W Li, Y He, J Yang, G Hu, Y Lin, T Ran, B Peng, B Xie, M Huang, X Gao, ... Nature communications 12 (1), 1946, 2021 | 93 | 2021 |
| Targeting epigenetic reader and eraser: Rational design, synthesis and in vitro evaluation of dimethylisoxazoles derivatives as BRD4/HDAC dual inhibitors Z Zhang, S Hou, H Chen, T Ran, F Jiang, Y Bian, D Zhang, Y Zhi, L Wang, ... Bioorganic & medicinal chemistry letters 26 (12), 2931-2935, 2016 | 67 | 2016 |
| CHARMM36: An improved force field for folded and intrinsically disordered proteins J Huang, S Rauscher, G Nawrocki, T Ran, M Feig, BL de Groot, ... Biophysical Journal 112 (3), 175a-176a, 2017 | 64 | 2017 |
| De novo molecule design through the molecular generative model conditioned by 3D information of protein binding sites M Xu, T Ran, H Chen Journal of Chemical Information and Modeling 61 (7), 3240-3254, 2021 | 60 | 2021 |
| Grubmü ller H, MacKerell AD. 2017. CHARMM36m: an improved force field for folded and intrinsically disordered proteins J Huang, S Rauscher, G Nawrocki, T Ran, M Feig, BL De Groot Nature methods 14 (1), 71-73, 0 | 60 | |
| An integrated virtual screening approach for VEGFR-2 inhibitors Y Zhang, S Yang, Y Jiao, H Liu, H Yuan, S Lu, T Ran, S Yao, Z Ke, J Xu, ... Journal of chemical information and modeling 53 (12), 3163-3177, 2013 | 51 | 2013 |
| A hypermethylation strategy utilized by enhancer-bound CARM1 to promote estrogen receptor α-dependent transcriptional activation and breast carcinogenesis B Peng, W Li, J Ding, Y He, T Ran, B Xie, Z Wang, H Shen, R Xiao, W Gao, ... Theranostics 10 (8), 3451, 2020 | 36 | 2020 |
| An extensive benchmark study on biomedical text generation and mining with ChatGPT Q Chen, H Sun, H Liu, Y Jiang, T Ran, X Jin, X Xiao, Z Lin, H Chen, Z Niu Bioinformatics 39 (9), btad557, 2023 | 30 | 2023 |
| Structure of Mycobacterium tuberculosis cytochrome bcc in complex with Q203 and TB47, two anti-TB drug candidates S Zhou, W Wang, X Zhou, Y Zhang, Y Lai, Y Tang, J Xu, D Li, J Lin, ... Elife 10, e69418, 2021 | 27 | 2021 |
| Identification of covalent binding sites targeting cysteines based on computational approaches Y Zhang, D Zhang, H Tian, Y Jiao, Z Shi, T Ran, H Liu, S Lu, A Xu, X Qiao, ... Molecular Pharmaceutics 13 (9), 3106-3118, 2016 | 25 | 2016 |
| Structure-based and shape-complemented pharmacophore modeling for the discovery of novel checkpoint kinase 1 inhibitors XM Chen, T Lu, S Lu, HF Li, HL Yuan, T Ran, HC Liu, YD Chen Journal of molecular modeling 16, 1195-1204, 2010 | 25 | 2010 |
| Insight into the key interactions of bromodomain inhibitors based on molecular docking, interaction fingerprinting, molecular dynamics and binding free energy calculation T Ran, Z Zhang, K Liu, Y Lu, H Li, J Xu, X Xiong, Y Zhang, A Xu, S Lu, ... Molecular bioSystems 11 (5), 1295-1304, 2015 | 24 | 2015 |
| A selectivity study on mTOR/PI3Kα inhibitors by homology modeling and 3D-QSAR T Ran, T Lu, H Yuan, H Liu, J Wang, W Zhang, Y Leng, G Lin, S Zhuang, ... Journal of molecular modeling 18, 171-186, 2012 | 23 | 2012 |
| Novel 1H-pyrazole-3-carboxamide derivatives: synthesis, anticancer evaluation and identification of their DNA-binding interaction Y Lu, T Ran, G Lin, Q Jin, J Jin, H Li, H Guo, T Lu, Y Wang Chemical and Pharmaceutical Bulletin 62 (3), 238-246, 2014 | 22 | 2014 |
| Novel strategy for three-dimensional fragment-based lead discovery H Yuan, T Lu, T Ran, H Liu, S Lu, W Tai, Y Leng, W Zhang, J Wang, ... Journal of chemical information and modeling 51 (4), 959-974, 2011 | 19 | 2011 |
| A selectivity study of sodium‐dependent glucose cotransporter 2/sodium‐dependent glucose cotransporter 1 inhibitors by molecular modeling J Xu, H Yuan, T Ran, Y Zhang, H Liu, S Lu, X Xiong, A Xu, Y Jiang, T Lu, ... Journal of Molecular Recognition 28 (8), 467-479, 2015 | 18 | 2015 |
| 3D-QSAR and molecular fragment replacement study on diaminopyrimidine and pyrrolotriazine ALK inhibitors Z Ke, T Lu, H Liu, H Yuan, T Ran, Y Zhang, S Yao, X Xiong, J Xu, A Xu, ... Journal of Molecular Structure 1067, 127-137, 2014 | 18 | 2014 |
| In silico discovery of JMJD6 inhibitors for cancer treatment T Ran, R Xiao, Q Huang, H Yuan, T Lu, W Liu ACS Medicinal Chemistry Letters 10 (12), 1609-1613, 2019 | 15 | 2019 |
| An efficient multistep ligand-based virtual screening approach for GPR40 agonists S Yao, T Lu, Z Zhou, H Liu, H Yuan, T Ran, S Lu, Y Zhang, Z Ke, J Xu, ... Molecular diversity 18, 183-193, 2014 | 15 | 2014 |
