Xu L - Search Results

1

Molecular modeling strategy for detailing the primary mechanism of action of copanlisib to PI3K: combined ligand-based and target-based approach.

Zhu J, Li X, Meng H, Jia L, Xu L, Cai Y, Chen Y, Jin J, Yu L, Gao M. Zhu J, et al. Among authors: xu l. J Biomol Struct Dyn. 2024 Sep;42(15):8172-8183. doi: 10.1080/07391102.2023.2246569. Epub 2023 Aug 12. J Biomol Struct Dyn. 2024. PMID: 37572326

2

Optimization of virtual screening against phosphoinositide 3-kinase delta: Integration of common feature pharmacophore and multicomplex-based molecular docking.

Zhu J, Meng H, Li X, Jia L, Xu L, Cai Y, Chen Y, Jin J, Yu L. Zhu J, et al. Among authors: xu l. Comput Biol Chem. 2024 Apr;109:108011. doi: 10.1016/j.compbiolchem.2023.108011. Epub 2024 Jan 2. Comput Biol Chem. 2024. PMID: 38198965

3

Identification of novel covalent JAK3 inhibitors through consensus scoring virtual screening: integration of common feature pharmacophore and covalent docking.

Qiu G, Yu L, Jia L, Cai Y, Chen Y, Jin J, Xu L, Zhu J. Qiu G, et al. Among authors: xu l. Mol Divers. 2024 Jul 15. doi: 10.1007/s11030-024-10918-5. Online ahead of print. Mol Divers. 2024. PMID: 39009908

4

In-depth theoretical modeling to explore the mechanism of TPX-0131 overcoming lorlatinib resistance to ALK^{L1196M/G1202R} mutation.

Zhang X, Tong J, Wang T, Wang Z, Gu S, Xu L, Hou T, Pan P. Zhang X, et al. Among authors: xu l. Comput Biol Med. 2024 Dec;183:109265. doi: 10.1016/j.compbiomed.2024.109265. Epub 2024 Oct 15. Comput Biol Med. 2024. PMID: 39405725

5

Can molecular dynamics simulations improve predictions of protein-ligand binding affinity with machine learning?

Gu S, Shen C, Yu J, Zhao H, Liu H, Liu L, Sheng R, Xu L, Wang Z, Hou T, Kang Y. Gu S, et al. Among authors: xu l. Brief Bioinform. 2023 Mar 19;24(2):bbad008. doi: 10.1093/bib/bbad008. Brief Bioinform. 2023. PMID: 36681903

6

Dissecting the role of ALK double mutations in drug resistance to lorlatinib with in-depth theoretical modeling and analysis.

Zhang X, Tong J, Wang T, Wang T, Xu L, Wang Z, Hou T, Pan P. Zhang X, et al. Among authors: xu l. Comput Biol Med. 2024 Feb;169:107815. doi: 10.1016/j.compbiomed.2023.107815. Epub 2023 Dec 7. Comput Biol Med. 2024. PMID: 38128254

7

Discovery of Novel Inhibitors of BRD4 for Treating Prostate Cancer: A Comprehensive Case Study for Considering Water Networks in Virtual Screening and Drug Design.

Zhong H, Wang X, Chen S, Wang Z, Wang H, Xu L, Hou T, Yao X, Li D, Pan P. Zhong H, et al. Among authors: xu l. J Med Chem. 2024 Jan 11;67(1):138-151. doi: 10.1021/acs.jmedchem.3c00996. Epub 2023 Dec 28. J Med Chem. 2024. PMID: 38153295

8

Identification and assessment of new PIM2 inhibitors for treating hematologic cancers: A combined approach of energy-based virtual screening and machine learning evaluation.

Chen X, Zhao J, Chen R, Shen L, Lu J, Guo Y, Chi X, Geng S, Zhang Q, Pan Z, He X, Xu L, Shen Z, Yang H, Lei T. Chen X, et al. Among authors: xu l. Arch Pharm (Weinheim). 2024 Apr;357(4):e2300516. doi: 10.1002/ardp.202300516. Epub 2024 Jan 23. Arch Pharm (Weinheim). 2024. PMID: 38263717

9

Discovery of 5-(1-benzyl-1H-imidazol-4-yl)-1,2,4-oxadiazole derivatives as novel RIPK1 inhibitors via structure-based virtual screening.

Yu Y, Hu Y, Yan H, Zeng X, Yang H, Xu L, Sheng R. Yu Y, et al. Among authors: xu l. Drug Dev Res. 2024 Aug;85(5):e22235. doi: 10.1002/ddr.22235. Drug Dev Res. 2024. PMID: 39021343

10

Identification of Potential Inhibitors of PDE5 based on Structure-based Virtual Screening Approaches.

Xu L, Sun L, Su P, Ma T, Yu Y, Liu H, Huang X. Xu L, et al. Curr Comput Aided Drug Des. 2023;19(3):234-242. doi: 10.2174/1573409919666221208143327. Curr Comput Aided Drug Des. 2023. PMID: 36503473

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