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Biological and Medicinal Chemistry

(1)

Theoretical and Computational Chemistry

(1)

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Working Paper

(2)

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Over 3 years

(2)

Keywords

HIV protease

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2 results in Keywords: HIV protease

Biological and Medicinal Chemistry

Novel Development of Predictive Feature Fingerprints to Identify Chemistry-Based Features for Effective Drug Design of SARS-CoV-2 Target Antagonists and Inhibitors Using Machine Learning

Kelvin Cooper, Christopher Baddeley, Bernie French, Katherine Gibson, James Golden, Thiam Lee, Sadrach Pierre, Brent Weiss, Jason Yang

Version 1 posted 29 October 2020

680

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Theoretical and Computational Chemistry

Hybrid QM/MM free energy evaluation of drug-resistant mutational effect on binding of an inhibitor Indinavir to HIV-1 protease

Masahiko Taguchi, Ryo Oyama, Masahiro Kaneso, Shigehiko Hayashi

Version 5 posted 25 February 2022

778

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