Son Tung Ngo

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Autodock Vina Adopts More Accurate Binding Poses but Autodock4 Forms Better Binding Affinity

Trung Hai Nguyen, Nguyen Truong Huy, Nguyen Thanh Nguyen, 2019, J. Chem. Inf. Model..

Fast and accurate determination of the relative binding affinities of small compounds to HIV‐1 protease using non‐equilibrium work

Minh Tho Nguyen, Son Tung Ngo, Huynh Minh Hung, 2016, J. Comput. Chem..

Impact of the Astaxanthin, Betanin, and EGCG Compounds on Small Oligomers of Amyloid Aβ40 Peptide

James Chapman, Philippe Derreumaux, Vi Khanh Truong, 2020, J. Chem. Inf. Model..

Estimating the ligand‐binding affinity via λ‐dependent umbrella sampling simulations

Son Tung Ngo, 2020, J. Comput. Chem..

Oversampling Free Energy Perturbation Simulation in Determination of the Ligand‐Binding Free Energy

Trung Hai Nguyen, Pham Cam Nam, Son Tung Ngo, 2019, J. Comput. Chem..

Anti-arrhythmic Medication Propafenone a Potential Drug for Alzheimer's Disease Inhibiting Aggregation of Aβ: In Silico and in Vitro Studies

Yi-Cheng Chen, Mai Suan Li, Son Tung Ngo, 2016, J. Chem. Inf. Model..

Genetic Algorithm for Solving Multi-Objective Optimization in Examination Timetabling Problem

Izzatdin Abdul Aziz, Jafreezal Jaafar, Son Tung Ngo, 2021 .

Improving the Accuracy of AutoDock Vina by Changing the Empirical Parameters

Trung Hai Nguyen, Nguyen Truong Huy, Nguyen Thanh Tung, 2021 .

The influences of E22Q mutant on solvated 3Aβ11-40 peptide: A REMD study.

Son Tung Ngo, Huynh Minh Hung, N. T. Tung, 2018, Journal of molecular graphics & modelling.

Oligomerization of Peptides LVEALYL and RGFFYT and Their Binding Affinity to Insulin

Chin-Kun Hu, Mai Suan Li, Son Tung Ngo, 2013, PloS one.

Evaluation of the absolute affinity of neuraminidase inhibitor using steered molecular dynamics simulations.

Son Tung Ngo, M. Nguyen, N. M. Tam, 2017, Journal of molecular graphics & modelling.

Effective estimation of the inhibitor affinity of HIV-1 protease via a modified LIE approach

Son Tung Ngo, N. T. Tung, Nam Dao Hong, 2020, RSC advances.

Adequate prediction for inhibitor affinity of Aβ40 protofibril using the linear interaction energy method

Son Tung Ngo, Binh Khanh Mai, P. Derreumaux, 2019, RSC advances.

In vitro and in silico determination of glutaminyl cyclase inhibitors

Son Tung Ngo, N. T. Tung, Jeewoo Lee, 2019, RSC advances.

EGCG inhibits the oligomerization of amyloid beta (16-22) hexamer: Theoretical studies.

Son Tung Ngo, M. Nguyen, N. M. Tam, 2017, Journal of molecular graphics & modelling.

Estimation of the Binding Free Energy of AC1NX476 to HIV‐1 Protease Wild Type and Mutations Using Free Energy Perturbation Method

Son Tung Ngo, Binh Khanh Mai, M. Li, 2015, Chemical biology & drug design.

Fast pulling of ligand approach for the design of β-secretase 1 inhibitors

Son Tung Ngo, D. Truong, V. Vu, 2017 .

Curcumin binds to Aβ1-40 peptides and fibrils stronger than ibuprofen and naproxen.

Son Tung Ngo, M. Li, 2012, The journal of physical chemistry. B.

Effective Estimation of Ligand-Binding Affinity Using Biased Sampling Method

Son Tung Ngo, Khanh B. Vu, V. Vu, 2019, ACS omega.

Determination of the absolute binding free energies of HIV-1 protease inhibitors using non-equilibrium molecular dynamics simulations

Son Tung Ngo, M. Nguyen, M. T. Nguyen, 2017 .

In Silico Probing Ca2+ and Zn2+ Permeable Transmembrane 4Aβ1-42 Barrel

Son Tung Ngo, 2020 .

Thermodynamics and Kinetics in Antibody Resistance of the 501Y.V2 SARS-CoV-2 Variant (preprint)

Son Tung Ngo, N. T. Tung, T. Nguyen, 2021 .

Top-leads from natural products for treatment of Alzheimer's disease: docking and molecular dynamics study

Son Tung Ngo, M. Li, 2013 .

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

Son Tung Ngo, T. Nguyen, D. M. Hiep, 2022, ACS omega.

Son Tung Ngo, Minh Quan Pham, T. Nguyen, 2020, J. Chem. Inf. Model..

Binding of inhibitors to the monomeric and dimeric SARS-CoV-2 Mpro

Son Tung Ngo, Duong Tuan Quang, N. T. Tung, 2020, RSC advances.

Computational Determination of Potential Inhibitors of SARS-CoV-2 Main Protease

Son Tung Ngo, D. Pham, V. Vu, 2020, J. Chem. Inf. Model..

Prediction of AChE-ligand affinity using the umbrella sampling simulation.

Son Tung Ngo, N. T. Tung, Ngo Thi Lan, 2019, Journal of molecular graphics & modelling.

Atomistic investigation of an Iowa Amyloid-β trimer in aqueous solution

Son Tung Ngo, H. Phung, Khanh B. Vu, 2018, RSC advances.

Copper active site in polysaccharide monooxygenases

Son Tung Ngo, V. Vu, 2018, Coordination Chemistry Reviews.

Interaction of carbohydrate binding module 20 with starch substrates

Son Tung Ngo, H. Phung, T. Vo, 2019, RSC advances.

Insights into the binding and covalent inhibition mechanism of PF-07321332 to SARS-CoV-2 Mpro

Son Tung Ngo, Binh Khanh Mai, N. T. Tung, 2021, RSC advances.

Application of SWAT model to Assess Land Use and Climate Changes Impacts on Hydrology of Nam Rom River Basin in Vietnam

Son Tung Ngo, H. Hoang, P. Tran, 2020 .

Nano-plastics and their analytical characterisation and fate in the marine environment: From source to sea.

Son Tung Ngo, D. Cozzolino, V. K. Truong, 2020, The Science of the total environment.

Metaheuristic Algorithms Based on Compromise Programming for the Multi-Objective Urban Shipment Problem

Muhammad Umar Aftab, Son Tung Ngo, J. Jaafar, 2022, Entropy.

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

Son Tung Ngo, N. T. Tung, Minh Quan Pham, 2020, RSC advances.

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

Son Tung Ngo, Duong Tuan Quang, P. Zhan, 2022, Chemical Physics.

Amyloid Oligomers: A Joint Experimental/Computational Perspective on Alzheimer's Disease, Parkinson's Disease, Type II Diabetes, and Amyotrophic Lateral Sclerosis.

Son Tung Ngo, Bikash R. Sahoo, R. Nussinov, 2021, Chemical reviews.

Kinetics and mechanism of the photocatalytic degradation of acetic acid in absence or presence of O2

Son Tung Ngo, C. Guillard, C. George, 2017 .

Distal Hydrophobic Loop Modulates the Copper Active Site and Reaction of AA13 Polysaccharide Monooxygenases.

Son Tung Ngo, Binh Khanh Mai, H. Phung, 2022, The journal of physical chemistry. B.

Conjugated polymers: A systematic investigation of their electronic and geometric properties using density functional theory and semi-empirical methods

Son Tung Ngo, Khanh B. Vu, N. M. Tam, 2018, Synthetic Metals.

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

Son Tung Ngo, Minh Quan Pham, T. Nguyen, 2022, Journal of molecular graphics & modelling.

Density Functional Study of Size-Dependent Hydrogen Adsorption on AgnCr (n = 1–12) Clusters

Son Tung Ngo, D. La, Ngo Thi Lan, 2022, ACS omega.

Gold@silica catalyst: Porosity of silica shells switches catalytic reactions

Son Tung Ngo, Quynh Thi Phuong Bui, Khanh B. Vu, 2019, Chemical Physics Letters.

Photocatalytic Selectivities of Ethane, Methane and Dimethylether Controlled by Reaction Conditions and TiO2 Structure in the Degradation of Acetic Acid

Son Tung Ngo, C. Guillard, F. Dappozze, 2018, ChemistrySelect.

The effect of structure-property relationships on the formability of pigmented polyester coatings

Son Tung Ngo, C. Lowe, Fabian S. Sorce, 2021 .

Design, synthesis and bioevaluation of novel 6-substituted aminoindazole derivatives as anticancer agents

Nguyen Huu Long, Son Tung Ngo, B. Han, 2020, RSC advances.

Searching and designing potential inhibitors for SARS-CoV-2 Mpro from natural sources using atomistic and deep-learning calculations

Son Tung Ngo, Duong Tuan Quang, D. Pham, 2021, RSC advances.

Marine derivatives prevent wMUS81 in silico studies

Son Tung Ngo, Minh Quan Pham, N. M. Tam, 2021, Royal Society Open Science.

Inhibition of aggregation of amyloid peptides by beta-sheet breaker peptides and their binding affinity.

Son Tung Ngo, Man Hoang Viet, M. Li, 2011, The journal of physical chemistry. B.

Impact of the Rat R5G, Y10F, and H13R Mutations on Tetrameric Aβ42 β-Barrel in a Lipid Bilayer Membrane Model.

Son Tung Ngo, P. Derreumaux, P. Nguyen, 2021, The journal of physical chemistry. B.

Tetrameric Aβ40 and Aβ42 β-Barrel Structures by Extensive Atomistic Simulations. I. In a Bilayer Mimicking a Neuronal Membrane.

Son Tung Ngo, P. Derreumaux, P. Nguyen, 2019, The journal of physical chemistry. B.

Probable Transmembrane Amyloid α-Helix Bundles Capable of Conducting Ca2+ Ions.

Son Tung Ngo, P. Derreumaux, V. Vu, 2019, The journal of physical chemistry. B.

Effect of the Tottori familial disease mutation (D7N) on the monomers and dimers of Aβ40 and Aβ42.

Son Tung Ngo, Man Hoang Viet, P. Derreumaux, 2013, ACS chemical neuroscience.

Fine Tuning of the Copper Active Site in Polysaccharide Monooxygenases.

Son Tung Ngo, N. T. Tung, V. Vu, 2020, The journal of physical chemistry. B.

Substrate selectivity in starch polysaccharide monooxygenases

Son Tung Ngo, John A. Hangasky, M. Marletta, 2019, The Journal of Biological Chemistry.

501Y.V2 spike protein resists the neutralizing antibody in atomistic simulations

Son Tung Ngo, 2022, Computational Biology and Chemistry.

Impact of A2T and D23N Mutations on Tetrameric Aβ42 Barrel within a DPPC Lipid Bilayer Membrane by Replica Exchange Molecular Dynamics.

Son Tung Ngo, P. Derreumaux, P. Nguyen, 2020, The journal of physical chemistry. B.

C-Terminal Plays as the Possible Nucleation of the Self-Aggregation of the S-Shape Aβ11–42 Tetramer in Solution: Intensive MD Study

Son Tung Ngo, N. T. Tung, P. Derreumaux, 2019, ACS omega.

Effect of Cholesterol Molecules on Aβ1-42 Wild-Type and Mutants Trimers

Son Tung Ngo, P. Derreumaux, P. Nguyen, 2022, Molecules.

Cholesterol Molecules Alter the Energy Landscape of Small Aβ1-42 Oligomers.

Son Tung Ngo, P. Derreumaux, P. Nguyen, 2021, The journal of physical chemistry. B.

Stability of Aβ11-40 Trimers with Parallel and Antiparallel β-Sheet Organizations in a Membrane-Mimicking Environment by Replica Exchange Molecular Dynamics Simulation.

Son Tung Ngo, P. Derreumaux, P. Nguyen, 2020, The journal of physical chemistry. B.

Computational investigation of possible inhibitors of the winged-helix domain of MUS81.

Son Tung Ngo, H. Phung, V. Vu, 2020, Journal of molecular graphics & modelling.

Preparation and application of supported ionic liquid phases for sorption of Pt(IV) from chloride solution

Son Tung Ngo, H. T. N. Uong, B. Nguyen, 2020, Chemical Papers.

How do magnetic, structural, and electronic criteria of aromaticity relate to HOMO – LUMO gap? An evaluation for graphene quantum dot and its derivatives

Son Tung Ngo, V. Vu, K. B. Vu, 2020 .

Graphene-integrated hybridized metamaterials for wide-angle tunable THz absorbers

Son Tung Ngo, N. T. Tung, V. Lam, 2021, Photonics and Nanostructures - Fundamentals and Applications.

Unifying approach to multilayer metamaterials absorber for bandwidth enhancement

Son Tung Ngo, N. T. Tung, M. Dinh, 2021 .

Controlling the absorption strength in bidirectional terahertz metamaterial absorbers with patterned graphene

Son Tung Ngo, N. T. Tung, V. Lam, 2019, Computational Materials Science.

Unbinding ligands from SARS-CoV-2 Mpro via umbrella sampling simulations

Son Tung Ngo, T. Nguyen, V. T. Ngan, 2022, Royal Society Open Science.

Development and optimisation of focused ion beam/scanning electron microscopy as a technique to investigate cross-sections of organic coatings

Son Tung Ngo, C. Lowe, O. Lewis, 2017 .

DFT investigation of Au9M2+ nanoclusters (M = Sc-Ni): The magnetic superatomic behavior of Au9Cr2+

Son Tung Ngo, Ngo Thi Lan, N. Dang, 2022, Chemical Physics Letters.

Photofragmentation Patterns of Cobalt Oxide Cations ConOm+ (n = 5-9, m = 4-13): from Oxygen-Deficient to Oxygen-Rich Species.

Son Tung Ngo, N. T. Tung, N. Mai, 2020, The journal of physical chemistry. A.

In silico and in vitro characterization of anti-amyloidogenic activity of vitamin K3 analogues for Alzheimer's disease.

Son Tung Ngo, M. Li, P. Q. Huy, 2013, Biochimica et biophysica acta.

Climate change and livelihood vulnerability of the rice farmers in the North Central Region of Vietnam: A Case Study in Nghe An Province, Vietnam

Son Tung Ngo, B. T. Vu, Phuong T. Tran, 2022, Environmental Challenges.

Potential inhibitors for SARS-CoV-2 Mpro from marine compounds

Son Tung Ngo, Duong Tuan Quang, Minh Quan Pham, 2021, RSC advances.

Replica exchange molecular dynamics study of the amyloid beta (11–40) trimer penetrating a membrane

Son Tung Ngo, Huynh Minh Hung, M. Nguyen, 2017 .

Replica exchange molecular dynamics study of the truncated amyloid beta (11-40) trimer in solution.

Son Tung Ngo, Huynh Minh Hung, M. Nguyen, 2017, Physical chemistry chemical physics : PCCP.

Tetrameric Aβ40 and Aβ42 β-Barrel Structures by Extensive Atomistic Simulations. II. In Aqueous Solution.

Son Tung Ngo, P. Derreumaux, P. Nguyen, 2019, The journal of physical chemistry. B.

Improving ligand‐ranking of AutoDock Vina by changing the empirical parameters

Nguyen Truong Huy, Son Tung Ngo, Binh Khanh Mai, 2021, J. Comput. Chem..

The Effects of A21G Mutation on Transmembrane Amyloid Beta (11-40) Trimer: An In Silico Study.

Son Tung Ngo, V. Vu, M. T. Nguyen, 2017, The journal of physical chemistry. B.

In silico studies of solvated F19W amyloid β (11–40) trimer

Son Tung Ngo, V. Vu, X. Luu, 2017 .

Morphology of a Transmembrane Aβ42 Tetramer via REMD Simulations

Son Tung Ngo, V. Vu, Trung Hai Nguyen, 2023, J. Chem. Inf. Model..

Propafenone effects on the stable structures of Aβ16-22 system

Son Tung Ngo, M. Nguyen, Linh Tran, 2018 .

Influence of various force fields in estimating the binding affinity of acetylcholinesterase inhibitors using fast pulling of ligand scheme

Son Tung Ngo, N. M. Tam, V. Vu, 2018, Chemical Physics Letters.

Etersalate prevents the formations of 6Aβ16-22 oligomer: An in silico study

Son Tung Ngo, H. Phung, V. Vu, 2018, PloS one.

Inhibition of aggregation of amyloid peptides by beta-sheet breaker peptides and their binding affinity.

Son Tung Ngo, Man Hoang Viet, M. Li, 2011, The journal of physical chemistry. B.

In silico and in vitro characterization of anti-amyloidogenic activity of vitamin K3 analogues for Alzheimer's disease.

Son Tung Ngo, M. Li, P. Q. Huy, 2013, Biochimica et biophysica acta.

Replica exchange molecular dynamics study of the truncated amyloid beta (11-40) trimer in solution.

Son Tung Ngo, Huynh Minh Hung, M. Nguyen, 2017, Physical chemistry chemical physics : PCCP.

Effect of the Tottori familial disease mutation (D7N) on the monomers and dimers of Aβ40 and Aβ42.

Son Tung Ngo, Man Hoang Viet, P. Derreumaux, 2013, ACS chemical neuroscience.

Thermodynamics and kinetics in antibody resistance of the 501Y.V2 SARS-CoV-2 variant

Son Tung Ngo, N. T. Tung, T. Nguyen, 2021, RSC advances.

Probabilistic approaches for music similarity using restricted Boltzmann machines

Son N. Tran, Son Tung Ngo, Son Ngo, 2019, Neural Computing and Applications.

Vector Map Random Encryption Algorithm Based on Multi-Scale Simplification and Gaussian Distribution

Kwon, Giao N. Pham, Kwon, 2019, Applied Sciences.

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

Son Tung Ngo, Duong Tuan Quang, Minh Quan Pham, 2023, Journal of Molecular Graphics and Modelling.

Introduction to A Compromise Programming Based Method for Complex Scheduling and Planning Problems

Son Tung Ngo, J. Jaafar, I. Aziz, 2021, IMMS.