| Advances in GPCR Modeling Evaluated by the GPCR Dock 2013 Assessment: Meeting New Challenges I Kufareva, V Katritch, RC Stevens, R Abagyan Structure, 2014 | 184 | 2014 |
| An unbiased method to build benchmarking sets for ligand-based virtual screening and its application to GPCRs J Xia, H Jin, Z Liu, L Zhang, XS Wang Journal of chemical information and modeling 54 (5), 1433-1450, 2014 | 60 | 2014 |
| Benchmarking methods and data sets for ligand enrichment assessment in virtual screening J Xia, EL Tilahun, TE Reid, L Zhang, XS Wang Methods 71, 146-157, 2015 | 50 | 2015 |
| N-thiadiazole-4-hydroxy-2-quinolone-3-carboxamides bearing heteroaromatic rings as novel antibacterial agents: Design, synthesis, biological evaluation and target identification W Xue, X Li, G Ma, H Zhang, Y Chen, J Kirchmair, J Xia, S Wu European Journal of Medicinal Chemistry 188, 112022, 2020 | 48 | 2020 |
| Design, synthesis and biological evaluation of noncovalent inhibitors of human CD38 NADase Y Zhou, KY Ting, CMC Lam, AKY Kwong, J Xia, H Jin, Z Liu, L Zhang, ... ChemMedChem 7 (2), 223-228, 2012 | 38 | 2012 |
| Discovery of novel isoflavone derivatives as AChE/BuChE dual-targeted inhibitors: synthesis, biological evaluation and molecular modelling B Feng, X Li, J Xia, S Wu Journal of Enzyme Inhibition and Medicinal Chemistry 32 (1), 968-977, 2017 | 36 | 2017 |
| Comparative modeling and benchmarking data sets for human histone deacetylases and sirtuin families J Xia, EL Tilahun, EH Kebede, TE Reid, L Zhang, XS Wang Journal of chemical information and modeling 55 (2), 374-388, 2015 | 31 | 2015 |
| Mechanism-based design, synthesis and biological studies of N5-substituted tetrahydrofolate analogs as inhibitors of cobalamin-dependent methionine synthase and potential … Z Zhang, C Tian, S Zhou, W Wang, Y Guo, J Xia, Z Liu, B Wang, X Wang, ... European journal of medicinal chemistry 58, 228-236, 2012 | 31 | 2012 |
| Synthesis and biological activity evaluation of 20-epi-salinomycin and its 20-O-acyl derivatives W Zhang, J Wu, B Li, J Xia, H Wu, L Wang, J Hao, Q Zhou, S Wu Rsc Advances 6 (48), 41885-41890, 2016 | 26 | 2016 |
| The discovery of novel HDAC3 inhibitors via virtual screening and in vitro bioassay J Xia, H Hu, W Xue, XS Wang, S Wu Journal of Enzyme Inhibition and Medicinal Chemistry 33 (1), 525-535, 2018 | 24 | 2018 |
| HDAC3i‐Finder: A Machine Learning‐based Computational Tool to Screen for HDAC3 Inhibitors S Li, Y Ding, M Chen, Y Chen, J Kirchmair, Z Zhu, S Wu, J Xia Molecular Informatics 40 (3), 2000105, 2021 | 23 | 2021 |
| Screening of cytochrome P450 3A4 inhibitors via in silico and in vitro approaches X Pang, B Zhang, G Mu, J Xia, Q Xiang, X Zhao, A Liu, G Du, Y Cui RSC advances 8 (61), 34783-34792, 2018 | 20 | 2018 |
| Discovery of potent PTP1B inhibitors via structure-based drug design, synthesis and in vitro bioassay of Norathyriol derivatives W Xue, J Tian, XS Wang, J Xia, S Wu Bioorganic chemistry 86, 224-234, 2019 | 16 | 2019 |
| Design and synthesis of conformationally constrained salinomycin derivatives W Zhang, J Wu, B Li, X Lian, J Xia, Q Zhou, S Wu European Journal of Medicinal Chemistry 138, 353-356, 2017 | 14 | 2017 |
| Virtual screening against phosphoglycerate kinase 1 in quest of novel apoptosis inhibitors J Xia, B Feng, Q Shao, Y Yuan, XS Wang, N Chen, S Wu Molecules 22 (6), 1029, 2017 | 14 | 2017 |
| Enrichment assessment of multiple virtual screening strategies for toll‐like receptor 8 agonists based on a maximal unbiased benchmarking data set F Pei, H Jin, X Zhou, J Xia, L Sun, Z Liu, L Zhang Chemical Biology & Drug Design 86 (5), 1226-1241, 2015 | 13 | 2015 |
| Bacterial lipoprotein biosynthetic pathway as a potential target for structure-based design of antibacterial agents J Xia, B Feng, G Wen, W Xue, G Ma, H Zhang, S Wu Current medicinal chemistry 27 (7), 1132-1150, 2020 | 11 | 2020 |
| The development of target-specific pose filter ensembles to boost ligand enrichment for structure-based virtual screening J Xia, JH Hsieh, H Hu, S Wu, XS Wang Journal of chemical information and modeling 57 (6), 1414-1425, 2017 | 11 | 2017 |
| Computational Representations of Protein-ligand Interfaces for Structure-based Virtual Screening T Qin, Z Zhu, XS Wang, J Xia, S Wu Expert Opinion on Drug Discovery 16 (10), 1175-1192, 2021 | 10 | 2021 |
| Discovery of N-quinazolinone-4-hydroxy-2-quinolone-3-carboxamides as DNA gyrase B-targeted antibacterial agents W Xue, Y Wang, X Lian, X Li, J Pang, J Kirchmair, K Wu, Z Han, X You, ... Journal of Enzyme Inhibition and Medicinal Chemistry 37 (1), 1620-1631, 2022 | 9 | 2022 |
Xiang Simon WangHoward University在 howard.edu 的电子邮件经过验证
