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Biological and Medicinal Chemistry

(4)

Physical Chemistry

(3)

Theoretical and Computational Chemistry

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Working Paper

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Over 3 years

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SMD

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5 results in Keywords: SMD

Biological and Medicinal Chemistry

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

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

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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Biological and Medicinal Chemistry

Binding of Inhibitors to the Monomeric and Dimeric SARS-CoV-2 Mpro

Nguyen Minh Tam, Pham Cam Nam, Duong Tuan Quang, Nguyen Thanh Tung, Van Vu, Son Tung Ngo

Version 2 posted 09 November 2020

701

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Theoretical and Computational Chemistry

501Y.V2 Spike Protein Resists the Antibody in Atomistic Simulations

Version 1 posted 24 May 2021

284

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