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Searching for AChE inhibitors from natural compounds by using machine learning and atomistic simulations.
J Mol Graph Model. 2022 Sep;115:108230. doi: 10.1016/j.jmgm.2022.108230. Epub 2022 May 27.
J Mol Graph Model. 2022.
PMID: 35661591
Autodock Vina Adopts More Accurate Binding Poses but Autodock4 Forms Better Binding Affinity.
Nguyen NT, Nguyen TH, Pham TNH, Huy NT, Bay MV, Pham MQ, Nam PC, Vu VV, Ngo ST.
Nguyen NT, et al. Among authors: pham tnh.
J Chem Inf Model. 2020 Jan 27;60(1):204-211. doi: 10.1021/acs.jcim.9b00778. Epub 2020 Jan 7.
J Chem Inf Model. 2020.
PMID: 31887035
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Improving ligand-ranking of AutoDock Vina by changing the empirical parameters.
Pham TNH, Nguyen TH, Tam NM, Y Vu T, Pham NT, Huy NT, Mai BK, Tung NT, Pham MQ, V Vu V, Ngo ST.
Pham TNH, et al.
J Comput Chem. 2022 Jan 30;43(3):160-169. doi: 10.1002/jcc.26779. Epub 2021 Oct 30.
J Comput Chem. 2022.
PMID: 34716930
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Synthesis and Bioactivity Evaluation of Novel 2-Salicyloylbenzofurans as Antibacterial Agents.
Phan PT, Nguyen TT, Nguyen HT, Le BN, Vu TT, Tran DC, Pham TN.
Phan PT, et al.
Molecules. 2017 Apr 25;22(5):687. doi: 10.3390/molecules22050687.
Molecules. 2017.
PMID: 28441350
Free PMC article.
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Alchemical approach performance in calculating the ligand-binding free energy.
Ngo ST, Thai QM, Nguyen TH, Tuan NN, Pham TNH, Phung HTT, Quang DT.
Ngo ST, et al. Among authors: pham tnh.
RSC Adv. 2024 May 8;14(21):14875-14885. doi: 10.1039/d4ra00692e. eCollection 2024 May 2.
RSC Adv. 2024.
PMID: 38720975
Free PMC article.
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