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Biological and Medicinal Chemistry

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Physical Chemistry

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Theoretical and Computational Chemistry

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Working Paper

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Over 3 years

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Keywords

FPL

Authors

3 results in Keywords: FPL

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

849

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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

913

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Physical Chemistry

In Silico Probing Ca2+ and Zn2+ Permeable Transmembrane 4Aβ1-42 Barrel

Version 2 posted 03 November 2020

391

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