Suchergebnisse - "Nguyen, Trung Hai"

PubPharm (55)

1

Upgrading nirmatrelvir to inhibit SARS-CoV-2 Mpro via DeepFrag and free energy calculations

enthalten in: Journal of molecular graphics & modelling | 2023

von Tam, N. | Nguyen, T. | Pham, M. | +5

2

Morphology of a Transmembrane Aβ42 Tetramer via REMD Simulations

enthalten in: Journal of chemical information and modeling | 2023

von Ngo, S. | Nguyen, T. | Vu, V.

3

Improving the Accuracy of AutoDock Vina by Changing the Empirical Parameters

enthalten in: chemRxiv.org | 2023

von Pham, T. | Nguyen, T. | Tam, N. | +8

4

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

enthalten in: Molecular diversity | 2023

von Nguyen, T. | Thai, Q. | Pham, M. | +2

5

Searching for potential inhibitors of SARS-COV-2 main protease using supervised learning and perturbation calculations

enthalten in: Chemical physics | 2023

von Nguyen, T. | Tam, N. | Tuan, M. | +4

6

Correction : Characterizing the ligand-binding affinity toward SARS-CoV-2 Mpro via physics- and knowledge-based approaches

enthalten in: Physical chemistry chemical physics : PCCP | 2022

von Ngo, S. | Nguyen, T. | Tung, N. | +3

ErratumFor: Phys Chem Chem Phys. 2022 Dec 14;24(48):29266-29278. - PMID 36449268

7

Characterizing the ligand-binding affinity toward SARS-CoV-2 Mpro via physics- and knowledge-based approaches

enthalten in: Physical chemistry chemical physics : PCCP | 2022

von Ngo, S. | Nguyen, T. | Tung, N. | +3

ErratumIn: Phys Chem Chem Phys. 2022 Dec 13;:. - PMID 36511167

8

Correction : Rapid prediction of possible inhibitors for SARS-CoV-2 main protease using docking and FPL simulations

enthalten in: RSC advances | 2022

von Pham, M. | Vu, K. | Han Pham, T. | +6

ErratumFor: RSC Adv. 2020 Aug 28;10(53):31991-31996. - PMID 35518150

9

Searching for AChE inhibitors from natural compounds by using machine learning and atomistic simulations

enthalten in: Journal of molecular graphics & modelling | 2022

von Thai, Q. | Pham, T. | Hiep, D. | +4

10

Identifying Possible AChE Inhibitors from Drug-like Molecules via Machine Learning and Experimental Studies

enthalten in: ACS omega | 2022

von Nguyen, T. | Tran, P. | Pham, N. | +3

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