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Dalton Transactions (Cambridge, England : 2003)|July 2, 2014
Platination of the copper transporter ATP7A involved in anticancer drug resistanceVania Calandrini, Fabio Arnesano, Angela Galliani, et al.
Royal Society Open Science|October 3, 2024
Searching for potential acetylcholinesterase inhibitors: a combined approach of multi-step similarity search, machine learning and molecular dynamics simulationsQuynh Mai Thai, Minh Quan Pham, Phuong-Thao Tran, et al.
Proceedings of the National Academy of Sciences of the United States of America|June 8, 2012
Water at hydrophobic interfaces delays proton surface-to-bulk transfer and provides a pathway for lateral proton diffusionChao Zhang, Denis G Knyazev, Yana A Vereshaga, et al.
Molecular Diversity|February 24, 2023
Machine learning combines atomistic simulations to predict SARS-CoV-2 Mpro inhibitors from natural compoundsTrung Hai Nguyen, Quynh Mai Thai, Minh Quan Pham, et al.
Journal of Computational Chemistry|December 17, 2019
Oversampling Free Energy Perturbation Simulation in Determination of the Ligand-Binding Free EnergySon Tung Ngo, Trung Hai Nguyen, Nguyen Thanh Tung, et al.
Physical Chemistry Chemical Physics : PCCP|December 13, 2022
Correction: Characterizing the ligand-binding affinity toward SARS-CoV-2 Mpro <i>via</i> physics- and knowledge-based approachesSon Tung Ngo, Trung Hai Nguyen, Nguyen Thanh Tung, et al.
Physical Chemistry Chemical Physics : PCCP|November 30, 2022
Characterizing the ligand-binding affinity toward SARS-CoV-2 Mpro <i>via</i> physics- and knowledge-based approachesSon Tung Ngo, Trung Hai Nguyen, Nguyen Thanh Tung, et al.
ACS Omega|February 23, 2026
Identifying Potential BACE1 Inhibitors from the ChEMBL Database Using Machine Learning and Atomistic Simulation ApproachesQuang Tung Dao, Thi Mai Dung Do, Quynh Mai Thai, et al.
ACS Omega|December 16, 2024
Discovering Influenza Virus Neuraminidase Inhibitors via Computational and Experimental StudiesTrung Hai Nguyen, Ngoc Quynh Anh Pham, Quynh Mai Thai, et al.
ACS Omega|June 27, 2022
Identifying Possible AChE Inhibitors from Drug-like Molecules via Machine Learning and Experimental StudiesTrung Hai Nguyen, Phuong-Thao Tran, Ngoc Quynh Anh Pham, et al.
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