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The Journal of Physical Chemistry. B|July 29, 2025
Surface Activity of <i>n</i>-Carboxylic AcidsDuc Toan Truong, Chi M PhanScientific Reports|January 23, 2026
Mechanical stability and thermodynamic properties of GeP and [Formula: see text] as battery anode materials from first principlesDuc Toan Truong, Nguyen-Hieu Hoang, Chi M Phan, et al.RSC Advances|March 4, 2026
Composite A<sub>2</sub>M<sub>6</sub>O<sub>13</sub> anodes (A = Li, Na; M = Ti, Zr) for Li-Na dual cation batteries: a theoretical investigationDuc Toan Truong, Yohandys A Zulueta, My Phuong Pham-Ho, et al.The Journal of Physical Chemistry. B|April 10, 2018
Probing the Binding Affinity by Jarzynski's Nonequilibrium Binding Free Energy and Rupture TimeDuc Toan Truong, Mai Suan LiThe Journal of Physical Chemistry. B|June 3, 2020
How Good is Jarzynski's Equality for Computer-Aided Drug Design?Kiet Ho, Duc Toan Truong, Mai Suan LiACS Omega|February 23, 2026
Imidazole-[1,5‑<i>a</i>]‑Pyridines Can Occupy the EGFR Allostery with a Strong Polar InteractionDuc Toan Truong, Nguyen Minh Tam, Chinh Tam Thai, et al.The Journal of Physical Chemistry. B|July 22, 2021
Dependence of Work on the Pulling Speed in Mechanical Ligand UnbindingHong An Pham, Duc Toan Truong, Mai Suan LiJournal of Molecular Graphics & Modelling|June 29, 2017
EGCG inhibits the oligomerization of amyloid beta (16-22) hexamer: Theoretical studiesSon Tung Ngo, Duc Toan Truong, Nguyen Minh Tam, et al.Physical Chemistry Chemical Physics : PCCP|December 23, 2016
Replica exchange molecular dynamics study of the truncated amyloid beta (11-40) trimer in solutionSon Tung Ngo, Huynh Minh Hung, Duc Toan Truong, et al.The Journal of Physical Chemistry. B|December 2, 2020
Remdesivir Strongly Binds to Both RNA-Dependent RNA Polymerase and Main Protease of SARS-CoV-2: Evidence from Molecular SimulationsHoang Linh Nguyen, Nguyen Quoc Thai, Duc Toan Truong, et al.Pageof 5