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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

1,320

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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

257

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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

824

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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

799

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1

Citations

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

2,666

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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

717

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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

858

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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

141

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Organic Chemistry

Review

Methanol Activation: Strategies for Utilization of Methanol as C1 Building Block in Sustainable Organic Synthesis

Hung-Vu Tran, Tuan Thanh Dang, Nguyen Hoang Nguyen, Huyen Thu Tran, Dung Tien Nguyen, Dang Van Do, Thanh Son Le, Thuong Hanh Ngo, Yawa K. E. Late, Prince Nana Amaniampong, Eugene Fletcher, Tran Quang Hung, Yuran Cheng, Tuan Khoa Nguyen, Tuan Sang Tran, Jun Zhang, Hongjie An, Nam-Trung Nguyen, Quang Thang Trinh

Version 1 posted 18 October 2024

246

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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

111

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1

Citations

Refine Search

12 results in Trung Nguyen in Authors: Trung Nguyen

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

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

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

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

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

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

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

Automated semiquantitative analysis of protein macroarrays

Methanol Activation: Strategies for Utilization of Methanol as C1 Building Block in Sustainable Organic Synthesis

Discovering Neuraminidase Inhibitors via Computational and Experimental Studies

12 results in Authors: Trung Nguyen