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FragGen: towards 3D geometry reliable fragment-based molecular generation.
Zhang O, Huang Y, Cheng S, Yu M, Zhang X, Lin H, Zeng Y, Wang M, Wu Z, Zhao H, Zhang Z, Hua C, Kang Y, Cui S, Pan P, Hsieh CY, Hou T. Zhang O, et al. Among authors: zhang z, zhang x. Chem Sci. 2024 Oct 16;15(46):19452-19465. doi: 10.1039/d4sc04620j. eCollection 2024 Nov 27. Chem Sci. 2024. PMID: 39568888 Free PMC article.
Molecular Generation with Reduced Labeling through Constraint Architecture.
Wang J, Zeng Y, Sun H, Wang J, Wang X, Jin R, Wang M, Zhang X, Cao D, Chen X, Hsieh CY, Hou T. Wang J, et al. Among authors: zhang x. J Chem Inf Model. 2023 Jun 12;63(11):3319-3327. doi: 10.1021/acs.jcim.3c00579. Epub 2023 May 15. J Chem Inf Model. 2023. PMID: 37184885
Efficient and accurate large library ligand docking with KarmaDock.
Zhang X, Zhang O, Shen C, Qu W, Chen S, Cao H, Kang Y, Wang Z, Wang E, Zhang J, Deng Y, Liu F, Wang T, Du H, Wang L, Pan P, Chen G, Hsieh CY, Hou T. Zhang X, et al. Among authors: zhang o, zhang j. Nat Comput Sci. 2023 Sep;3(9):789-804. doi: 10.1038/s43588-023-00511-5. Epub 2023 Sep 21. Nat Comput Sci. 2023. PMID: 38177786
Harnessing deep learning for enhanced ligand docking.
Zhang X, Shen C, Hsieh CY, Hou T. Zhang X, et al. Trends Pharmacol Sci. 2024 Feb;45(2):103-106. doi: 10.1016/j.tips.2023.12.004. Epub 2023 Dec 30. Trends Pharmacol Sci. 2024. PMID: 38160084
183,392 results
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