Phung HTT - Search Results

1

Corrigendum to 'Estimation of the ligand-binding free energy of checkpoint kinase 1 via non-equilibrium MD simulations'.

Mai NT, Lan NT, Vu TY, Duong PTM, Tung NT, Phung HTT. Mai NT, et al. Among authors: phung htt. J Mol Graph Model. 2021 Mar;103:107805. doi: 10.1016/j.jmgm.2020.107805. Epub 2020 Nov 24. J Mol Graph Model. 2021. PMID: 33246192 No abstract available.

2

Estimation of the ligand-binding free energy of checkpoint kinase 1 via non-equilibrium MD simulations.

Mai NT, Lan NT, Vu TY, Duong PTM, Tung NT, Phung HTT. Mai NT, et al. Among authors: phung htt. J Mol Graph Model. 2020 Nov;100:107648. doi: 10.1016/j.jmgm.2020.107648. Epub 2020 Jun 26. J Mol Graph Model. 2020. PMID: 32653524

3

Computational investigation of possible inhibitors of the winged-helix domain of MUS81.

Ngo ST, Vu VV, Phung HTT. Ngo ST, et al. Among authors: phung htt. J Mol Graph Model. 2021 Mar;103:107771. doi: 10.1016/j.jmgm.2020.107771. Epub 2020 Oct 2. J Mol Graph Model. 2021. PMID: 33340918

4

A computationally affordable approach for accurate prediction of the binding affinity of JAK2 inhibitors.

Mai NT, Lan NT, Vu TY, Tung NT, Phung HTT. Mai NT, et al. Among authors: phung htt. J Mol Model. 2022 May 23;28(6):163. doi: 10.1007/s00894-022-05149-0. J Mol Model. 2022. PMID: 35599265

5

A close-up shot of protein-protein docking, from experiment to theory and reverse with the PROTAC performers.

Nguyen KQT, Nguyen HH, Phung HTT, Chung KL, Vu TY. Nguyen KQT, et al. Among authors: phung htt. J Biomol Struct Dyn. 2024 Jan 29:1-8. doi: 10.1080/07391102.2024.2308778. Online ahead of print. J Biomol Struct Dyn. 2024. PMID: 38284361

6

Computational discovery of tripeptide inhibitors targeting monkeypox virus A42R profilin-like protein.

Pham TT, Thai QM, Tuyen PNK, Phung HTT, Ngo ST. Pham TT, et al. Among authors: phung htt. J Mol Graph Model. 2024 Nov;132:108837. doi: 10.1016/j.jmgm.2024.108837. Epub 2024 Jul 30. J Mol Graph Model. 2024. PMID: 39098150

7

Calculation of binding affinity of JAK1 inhibitors via accurately computational estimation.

Le TT, Tran LH, Nguyen MT, Pham MQ, Phung HTT. Le TT, et al. Among authors: phung htt. J Biomol Struct Dyn. 2023 Sep-Oct;41(15):7224-7234. doi: 10.1080/07391102.2022.2118830. Epub 2022 Sep 7. J Biomol Struct Dyn. 2023. PMID: 36069111

8

Machine learning combines atomistic simulations to predict SARS-CoV-2 Mpro inhibitors from natural compounds.

Nguyen TH, Thai QM, Pham MQ, Minh PTH, Phung HTT. Nguyen TH, et al. Among authors: phung htt. Mol Divers. 2024 Apr;28(2):553-561. doi: 10.1007/s11030-023-10601-1. Epub 2023 Feb 24. Mol Divers. 2024. PMID: 36823394 Free PMC article.

9

In silico screening of potential β-secretase (BACE1) inhibitors from VIETHERB database.

Nhung NT, Duong N, Phung HTT, Vo QV, Tam NM. Nhung NT, et al. Among authors: phung htt. J Mol Model. 2022 Feb 14;28(3):60. doi: 10.1007/s00894-022-05051-9. J Mol Model. 2022. PMID: 35156141

10

Computational estimation of potential inhibitors from known drugs against the main protease of SARS-CoV-2.

Tam NM, Pham MQ, Ha NX, Nam PC, Phung HTT. Tam NM, et al. Among authors: phung htt. RSC Adv. 2021 May 12;11(28):17478-17486. doi: 10.1039/d1ra02529e. eCollection 2021 May 6. RSC Adv. 2021. PMID: 35479689 Free PMC article.

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