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Machine learning-guided design of potent darunavir analogs targeting HIV-1 proteases: A computational approach for antiretroviral drug discovery.
J Comput Chem. 2024 May 15;45(13):953-968. doi: 10.1002/jcc.27298. Epub 2024 Jan 4.
J Comput Chem. 2024.
PMID: 38174739
Efficient exploration of transition-metal decorated MXene for carbon monoxide sensing using integrated active learning and density functional theory.
Boonpalit K, Kinchagawat J, Prommin C, Nutanong S, Namuangruk S.
Boonpalit K, et al. Among authors: kinchagawat j.
Phys Chem Chem Phys. 2023 Nov 1;25(42):28657-28668. doi: 10.1039/d3cp03667g.
Phys Chem Chem Phys. 2023.
PMID: 37849315
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Assisting Multitargeted Ligand Affinity Prediction of Receptor Tyrosine Kinases Associated Nonsmall Cell Lung Cancer Treatment with Multitasking Principal Neighborhood Aggregation.
Nakarin F, Boonpalit K, Kinchagawat J, Wachiraphan P, Rungrotmongkol T, Nutanong S.
Nakarin F, et al. Among authors: kinchagawat j.
Molecules. 2022 Feb 11;27(4):1226. doi: 10.3390/molecules27041226.
Molecules. 2022.
PMID: 35209011
Free PMC article.
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