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Journal of Physics Communications|April 5, 2021
Implicit ligand theory for relative binding free energies: II. An estimator based on control variatesTrung Hai Nguyen, David D L MinhThe Journal of Chemical Physics|March 17, 2018
Implicit ligand theory for relative binding free energiesTrung Hai Nguyen, David D L MinhJournal of Chemical Theory and Computation|April 8, 2016
Intermediate Thermodynamic States Contribute Equally to Free Energy Convergence: A Demonstration with Replica ExchangeTrung Hai Nguyen, David D L MinhJournal of Chemical Information and Modeling|July 6, 2023
Morphology of a Transmembrane Aβ<sub>42</sub> Tetramer via REMD SimulationsSon Tung Ngo, Trung Hai Nguyen, Van V VuJournal of Chemical Theory and Computation|April 22, 2017
Absolute Binding Free Energies between T4 Lysozyme and 141 Small Molecules: Calculations Based on Multiple Rigid Receptor ConfigurationsBing Xie, Trung Hai Nguyen, David D L MinhJournal of Computational Chemistry|December 23, 2017
Using the fast fourier transform in binding free energy calculationsTrung Hai Nguyen, Huan-Xiang Zhou, David D L MinhThe Journal of Physical Chemistry. B|May 6, 2026
Dynamics of Aβ42 Tetramer by REST2-CHARMM36m SimulationsTrung Hai Nguyen, Son Tung Ngo, Philippe Derreumaux, et al.Molecules (Basel, Switzerland)|February 25, 2022
Effect of Cholesterol Molecules on Aβ1-42 Wild-Type and Mutants TrimersTrung Hai Nguyen, Phuong H Nguyen, Son Tung Ngo, et al.RSC Advances|April 15, 2022
Insights into the binding and covalent inhibition mechanism of PF-07321332 to SARS-CoV-2 M<sup>pro</sup>Son Tung Ngo, Trung Hai Nguyen, Nguyen Thanh Tung, et al.Journal of Chemical Information and Modeling|April 8, 2021
Benchmark of Popular Free Energy Approaches Revealing the Inhibitors Binding to SARS-CoV-2 MproSon Tung Ngo, Nguyen Minh Tam, Minh Quan Pham, et al.Pageof 5