Trung H. Nguyen

Ho Chi Minh City, SG, Viet Nam

Last Updated: 09/26/2026

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Found 27 publications

Dynamics of Aβ42 Tetramer by REST2-CHARMM36m Simulations.

Dynamics of Aβ42 Tetramer by REST2-CHARMM36m Simulations.

Journal: The journal of physical chemistry. B

Published: May 06, 2026

Tetrapeptide inhibitors of BACE-1 revealed by combined data-driven screening and physics-based free-energy refinement.

Tetrapeptide inhibitors of BACE-1 revealed by combined data-driven screening and physics-based free-energy refinement.

Journal: Molecular diversity

Published: March 26, 2026

Varoglutamstat Inhibits the Dimerization of the Aβ25-35 Fragment in Aqueous Solution.

Varoglutamstat Inhibits the Dimerization of the Aβ25-35 Fragment in Aqueous Solution.

Journal: The journal of physical chemistry. B

Published: September 02, 2025

Tripeptides inhibit dual targets AChE and BACE-1: a computational study.

Tripeptides inhibit dual targets AChE and BACE-1: a computational study.

Journal: RSC advances

Published: January 30, 2025

Discovery of novel theophylline derivatives bearing tetrazole scaffold for the treatment of Alzheimer's disease.

Discovery of novel theophylline derivatives bearing tetrazole scaffold for the treatment of Alzheimer's disease.

Journal: RSC advances

Published: January 20, 2025

MedChemExpress compounds prevent neuraminidase N1 via physics- and knowledge-based methods.

MedChemExpress compounds prevent neuraminidase N1 via physics- and knowledge-based methods.

Journal: RSC advances

Published: April 09, 2024

Searching for potential acetylcholinesterase inhibitors: a combined approach of multi-step similarity search, machine learning and molecular dynamics simulations.

Searching for potential acetylcholinesterase inhibitors: a combined approach of multi-step similarity search, machine learning and molecular dynamics simulations.

Journal: Royal Society open science

Published: April 04, 2024

Estimating AChE inhibitors from MCE database by machine learning and atomistic calculations.

Estimating AChE inhibitors from MCE database by machine learning and atomistic calculations.

Journal: Journal of molecular graphics & modelling

Published: February 02, 2024

Alchemical approach performance in calculating the ligand-binding free energy.

Alchemical approach performance in calculating the ligand-binding free energy.

Journal: RSC advances

Published: January 27, 2024

Morphology of a Transmembrane Aβ42 Tetramer via REMD Simulations.

Morphology of a Transmembrane Aβ42 Tetramer via REMD Simulations.

Journal: Journal of chemical information and modeling

Published: July 06, 2023

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

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

Journal: Journal of molecular graphics & modelling

Published: March 29, 2023

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

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

Journal: Physical chemistry chemical physics : PCCP

Published: December 13, 2022

Showing 1-12 of 27

Last Updated: 09/26/2026