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Physical Chemistry

Working Paper

Molecular dynamics simulation of complex reactivity with the Rapid Approach for Proton Transport and Other Reactions (RAPTOR) soft- ware package

Scott Kaiser, Zhi Yue, Yuxing Peng, Trung Nguyen, Sijia Chen, Da Teng, Gregory Voth

Version 1 posted 02 April 2024

264

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Catalysis

Review

Sonochemistry and Sonocatalysis: Current Progress, Existing Limitations, and Future Opportunities in Sustainable Chemistry

Quang Thang Trinh, Nicholas Golio, Yuran Cheng, Haotian Cha, Kin Un Tai, Lingxi Ouyang, Jun Zhao, Tuan Sang Tran, Tuan-Khoa Nguyen, Jun Zhang, Hongjie An, Zuojun Wei, Francois Jerome, Prince Nana Amaniampong, Nam-Trung Nguyen

Version 1 posted 09 October 2024

249

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Theoretical and Computational Chemistry

Working Paper

Critical Assessment of Artificial Intelligence Methods for Prediction of hERG Channel Inhibition in the ‘Big Data’ Era

Vishal Babu Siramshetty, Dac-Trung Nguyen, Natalia J. Martinez, Anton Simeonov, Noel T. Southall, Alexey Zakharov

Version 1 posted 16 April 2020

827

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Physical Chemistry

Working Paper

Insights into the Binding and Covalent Inhibition Mechanism of PF-07321332 to SARS-CoV-2 Mpro

Son Tung Ngo, Trung Hai Nguyen, Nguyen Thanh Tung, Binh Khanh Mai

Version 1 posted 06 September 2021

1,325

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Theoretical and Computational Chemistry

Working Paper

A Benchmark of Popular Free Energy Approaches Revealing the Inhibitors Binding to SARS-CoV2 Mpro

Son Tung Ngo, Nguyen Minh Tam, Pham Minh Quan, Trung Hai Nguyen

Version 2 posted 28 December 2020

724

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Physical Chemistry

Working Paper

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

Son Tung Ngo, Trung Hai Nguyen, Duc-Hung Pham, Nguyen Thanh Tung, Pham Cam Nam

Version 4 posted 18 May 2021

802

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1

Citations

Biological and Medicinal Chemistry

Working Paper

Rapid Prediction of Possible Inhibitors for SARS-CoV-2 Main Protease using Docking and FPL Simulations

Pham Minh Quan, Khanh B. Vu, T. Ngoc Han Pham, Le Thi Thuy Huong, Linh Hoang Tran, Nguyen Thanh Tung, Van Vu, Trung Hai Nguyen, Son Tung Ngo

Version 2 posted 10 August 2020

861

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Theoretical and Computational Chemistry

Working Paper

Improving Ligand-Ranking of AutoDock Vina by Changing the Empirical Parameters

T. Ngoc Han Pham, Trung Hai Nguyen, Nguyen Minh Tam, Thien Y Vu, Nhat Truong Pham, Nguyen Truong Huy, Binh Khanh Mai, Nguyen Thanh Tung, Minh Quan Pham, Van V. Vu, Son Tung Ngo

Version 2 posted 12 October 2021

2,681

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Analytical Chemistry

Working Paper

Automated semiquantitative analysis of protein macroarrays

Chin Hong Ooi, Nam-Trung Nguyen, Gregor Kijanka

Version 1 posted 25 November 2022

142

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Theoretical and Computational Chemistry

Working Paper

Discovering Neuraminidase Inhibitors via Computational and Experimental Studies

Trung Hai Nguyen, Ngoc Quynh Anh Pham, Quynh Mai Thai, Van V. Van, Son Tung Ngo, Jim-Tong Horng

Version 1 posted 08 May 2024

112

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1

Citations

Refine Search

12 results in Trung Nguyen in Authors: Trung Nguyen

Molecular dynamics simulation of complex reactivity with the Rapid Approach for Proton Transport and Other Reactions (RAPTOR) soft- ware package

Sonochemistry and Sonocatalysis: Current Progress, Existing Limitations, and Future Opportunities in Sustainable Chemistry

Critical Assessment of Artificial Intelligence Methods for Prediction of hERG Channel Inhibition in the ‘Big Data’ Era

Insights into the Binding and Covalent Inhibition Mechanism of PF-07321332 to SARS-CoV-2 Mpro

A Benchmark of Popular Free Energy Approaches Revealing the Inhibitors Binding to SARS-CoV2 Mpro

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

Rapid Prediction of Possible Inhibitors for SARS-CoV-2 Main Protease using Docking and FPL Simulations

Improving Ligand-Ranking of AutoDock Vina by Changing the Empirical Parameters

Automated semiquantitative analysis of protein macroarrays

Discovering Neuraminidase Inhibitors via Computational and Experimental Studies

12 results in Authors: Trung Nguyen