Shi XX - Search Results

1

3D molecular generation models expand chemical space exploration in drug design.

Xiang YT, Huang GY, Shi XX, Hao GF, Yang GF. Xiang YT, et al. Among authors: shi xx. Drug Discov Today. 2024 Dec 28;30(1):104282. doi: 10.1016/j.drudis.2024.104282. Online ahead of print. Drug Discov Today. 2024. PMID: 39736464 Review.

2

Cloud 3D-QSAR: a web tool for the development of quantitative structure-activity relationship models in drug discovery.

Wang YL, Wang F, Shi XX, Jia CY, Wu FX, Hao GF, Yang GF. Wang YL, et al. Among authors: shi xx. Brief Bioinform. 2021 Jul 20;22(4):bbaa276. doi: 10.1093/bib/bbaa276. Brief Bioinform. 2021. PMID: 33140820

3

Fragment-based drug design facilitates selective kinase inhibitor discovery.

Wang ZZ, Shi XX, Huang GY, Hao GF, Yang GF. Wang ZZ, et al. Among authors: shi xx. Trends Pharmacol Sci. 2021 Jul;42(7):551-565. doi: 10.1016/j.tips.2021.04.001. Epub 2021 May 3. Trends Pharmacol Sci. 2021. PMID: 33958239 Review.

4

Web-Based Quantitative Structure-Activity Relationship Resources Facilitate Effective Drug Discovery.

Wang YL, Li JY, Shi XX, Wang Z, Hao GF, Yang GF. Wang YL, et al. Among authors: shi xx. Top Curr Chem (Cham). 2021 Sep 23;379(6):37. doi: 10.1007/s41061-021-00349-3. Top Curr Chem (Cham). 2021. PMID: 34554348 Review.

5

PTMdyna: exploring the influence of post-translation modifications on protein conformational dynamics.

Shi XX, Wang ZZ, Wang YL, Huang GY, Yang JF, Wang F, Hao GF, Yang GF. Shi XX, et al. Brief Bioinform. 2022 Jan 17;23(1):bbab424. doi: 10.1093/bib/bbab424. Brief Bioinform. 2022. PMID: 34643234

6

Exploring the kinase-inhibitor fragment interaction space facilitates the discovery of kinase inhibitor overcoming resistance by mutations.

Wang ZZ, Wang MS, Wang F, Shi XX, Huang W, Hao GF, Yang GF. Wang ZZ, et al. Among authors: shi xx. Brief Bioinform. 2022 Jul 18;23(4):bbac203. doi: 10.1093/bib/bbac203. Brief Bioinform. 2022. PMID: 35649390

7

Unveiling toxicity profile for food risk components: A manually curated toxicological databank of food-relevant chemicals.

Shi XX, Wang F, Wang ZZ, Huang GY, Li M, Simal-Gandara J, Hao GF, Yang GF. Shi XX, et al. Crit Rev Food Sci Nutr. 2024;64(15):5176-5191. doi: 10.1080/10408398.2022.2152423. Epub 2022 Dec 1. Crit Rev Food Sci Nutr. 2024. PMID: 36457196

8

Fragment-based drug discovery supports drugging 'undruggable' protein-protein interactions.

Wang ZZ, Shi XX, Huang GY, Hao GF, Yang GF. Wang ZZ, et al. Among authors: shi xx. Trends Biochem Sci. 2023 Jun;48(6):539-552. doi: 10.1016/j.tibs.2023.01.008. Epub 2023 Feb 24. Trends Biochem Sci. 2023. PMID: 36841635 Review.

9

ACFIS 2.0: an improved web-server for fragment-based drug discovery via a dynamic screening strategy.

Shi XX, Wang ZZ, Wang F, Hao GF, Yang GF. Shi XX, et al. Nucleic Acids Res. 2023 Jul 5;51(W1):W25-W32. doi: 10.1093/nar/gkad348. Nucleic Acids Res. 2023. PMID: 37158247 Free PMC article.

10

Bioinformatics toolbox for exploring protein phosphorylation network.

Shi XX, Wu FX, Mei LC, Wang YL, Hao GF, Yang GF. Shi XX, et al. Brief Bioinform. 2021 May 20;22(3):bbaa134. doi: 10.1093/bib/bbaa134. Brief Bioinform. 2021. PMID: 32666116 Review.

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