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

Journal of computational chemistry, 2021-01, Vol.42 (2), p.117-123

Ngo, Son Tung

2021

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Computational fluid dynamics and experimental validation of a compact steam methane reformer for hydrogen production from natural gas

Applied energy, 2019-02, Vol.236, p.340-353

2019

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Optimal design of a sleeve-type steam methane reforming reactor for hydrogen production from natural gas

International journal of hydrogen energy, 2019-01, Vol.44 (3), p.1973-1987

2019

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Copper active site in polysaccharide monooxygenases

Coordination chemistry reviews, 2018-08, Vol.368, p.134-157

2018

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On multi-resident activity recognition in ambient smart-homes

The Artificial intelligence review, 2020-08, Vol.53 (6), p.3929-3945

2020

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Experiment and numerical analysis of catalytic CO2 methanation in bubbling fluidized bed reactor

Energy conversion and management, 2021-04, Vol.233, p.113863, Article 113863

2021

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Entropy Correlation and Its Impacts on Data Aggregation in a Wireless Sensor Network

Sensors (Basel, Switzerland), 2018-09, Vol.18 (9), p.3118

2018

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

Chemical physics, 2020-11, Vol.539, p.110951, Article 110951

2020

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Application of SWAT model to assess land use change and climate variability impacts on hydrology of Nam Rom Catchment in Northwestern Vietnam

Environment, development and sustainability, 2022-03, Vol.24 (3), p.3091-3109

2022

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

Molecular simulation, 2013-04, Vol.39 (4), p.279-291

2013

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Benchmark of Popular Free Energy Approaches Revealing the Inhibitors Binding to SARS-CoV-2 Mpro

Journal of chemical information and modeling, 2021-05, Vol.61 (5), p.2302-2312

2021

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Separation efficiency of flat- and domed-roof cyclones in high-pressure polypropylene production using computational fluid dynamics

Korean Journal of Chemical Engineering, 2023, 40(10), 283, pp.2419-2433

2023

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

RSC advances, 2021-01, Vol.11 (5), p.2926-2934

2021

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

Journal of chemical information and modeling, 2020-01, Vol.60 (1), p.204-211

2020

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

RSC advances, 2020-08, Vol.1 (53), p.31991-31996

2020

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Assessing potential inhibitors of SARS-CoV-2 main protease from available drugs using free energy perturbation simulations

RSC advances, 2020-11, Vol.1 (66), p.4284-429

2020

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Prediction of degree of impregnation in thermoplastic unidirectional carbon fiber prepreg by multi-scale computational fluid dynamics

Chemical engineering science, 2018-08, Vol.185, p.64-75

2018

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A breakage model with different liquid properties for pressurized bubble columns in a homogeneous regime

Korean Journal of Chemical Engineering, 2021, 38(2), 251, pp.264-275

2021

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

Chemical physics, 2023-01, Vol.564, p.111709-111709, Article 111709

2023

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

The journal of physical chemistry. B, 2019-03, Vol.123 (12), p.2645-2653

2019

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Mixed-dependency models for multi-resident activity recognition in smart homes

Multimedia tools and applications, 2020-08, Vol.79 (31-32), p.23445-23460

2020

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Probabilistic approaches for music similarity using restricted Boltzmann machines

Neural computing & applications, 2020-04, Vol.32 (8), p.3999-4008

2020

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

Journal of computational chemistry, 2016-12, Vol.37 (31), p.2734-2742

2016

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Estimation of physical properties and hydrodynamics of slurry bubble column reactor for catalytic hydrocracking of vacuum residue

Chemical engineering journal (Lausanne, Switzerland : 1996), 2021-08, Vol.418, p.129378, Article 129378

2021

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

Computational fluid dynamics and experimental validation of a compact steam methane reformer for hydrogen production from natural gas

Optimal design of a sleeve-type steam methane reforming reactor for hydrogen production from natural gas

Copper active site in polysaccharide monooxygenases

On multi-resident activity recognition in ambient smart-homes

Experiment and numerical analysis of catalytic CO2 methanation in bubbling fluidized bed reactor

Entropy Correlation and Its Impacts on Data Aggregation in a Wireless Sensor Network

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

Application of SWAT model to assess land use change and climate variability impacts on hydrology of Nam Rom Catchment in Northwestern Vietnam

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

Benchmark of Popular Free Energy Approaches Revealing the Inhibitors Binding to SARS-CoV-2 Mpro

Separation efficiency of flat- and domed-roof cyclones in high-pressure polypropylene production using computational fluid dynamics

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

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

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

Assessing potential inhibitors of SARS-CoV-2 main protease from available drugs using free energy perturbation simulations

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

Prediction of degree of impregnation in thermoplastic unidirectional carbon fiber prepreg by multi-scale computational fluid dynamics

A breakage model with different liquid properties for pressurized bubble columns in a homogeneous regime

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

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

Mixed-dependency models for multi-resident activity recognition in smart homes

Probabilistic approaches for music similarity using restricted Boltzmann machines

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

Estimation of physical properties and hydrodynamics of slurry bubble column reactor for catalytic hydrocracking of vacuum residue

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