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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

699

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Biological and Medicinal Chemistry

Working Paper

Assessing Potential Inhibitors for SARS-CoV-2 Main Protease from Available Drugs using Free Energy Perturbation Simulations

Son Tung Ngo, Hung Minh Nguyen, Le Thi Thuy Huong, Pham Minh Quan, Vi Khanh Truong, Nguyen Thanh Tung, Van Vu

Version 2 posted 21 October 2020

727

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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

850

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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

2,621

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Biological and Medicinal Chemistry

Working Paper

Molecular Design of Anticancer Drug from Marine Fungi Derivatives

Duc Tuan Cao, Thi Mai Huong DOAN, Van Cuong PHAM, Thi Hong Lien HOANG, Jung-Woo Chae, Hwi-yeol YUN, Min-Kyun NA, Young-Ho KIM, Minh Quan PHAM, Van Hung NGUYEN

Version 1 posted 16 March 2021

281

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Organic Chemistry

Working Paper

Revisiting the influence of acid-base equilibrium and tautomerism on the free radical scavenging activities of curcumin derivatives in the physiological environment – A mechanistic and kinetic study

Dinh Hieu Truong, Thi Tu Dinh, Thi My Duyen Trinh, Thi Hong Minh Pham, Minh Quan Pham, Urszula Gawlik-Dziki, Duy Quang Dao

Version 1 posted 26 August 2024

74

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Theoretical and Computational Chemistry

Working Paper

Computational Estimation of Potential Inhibitors from the Known Drugs against the Main Protease of SARS-CoV-2

Nguyen Minh Tam, Pham Minh Quan, Nguyen Xuan Ha, Pham Cam Nam, Huong Thi Thu Phung

Version 1 posted 25 February 2021

421

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Refine Search

7 results in Pham Minh Quan in Authors: Pham Minh Quan

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

Assessing Potential Inhibitors for SARS-CoV-2 Main Protease from Available Drugs using Free Energy Perturbation Simulations

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

Molecular Design of Anticancer Drug from Marine Fungi Derivatives

Revisiting the influence of acid-base equilibrium and tautomerism on the free radical scavenging activities of curcumin derivatives in the physiological environment – A mechanistic and kinetic study

Computational Estimation of Potential Inhibitors from the Known Drugs against the Main Protease of SARS-CoV-2

7 results in Authors: Pham Minh Quan