Insights into effect of the Asp25/Asp25ʹ protonation states on binding of inhibitors Amprenavir and MKP97 to HIV-1 protease using molecular dynamics simulations and MM-GBSA calculations-Reference-Cited by-同舟云学术

Insights into effect of the Asp25/Asp25ʹ protonation states on binding of inhibitors Amprenavir and MKP97 to HIV-1 protease using molecular dynamics simulations and MM-GBSA calculations

Published:2021-06-23 Issue:8 Volume:32 Page:615-641
ISSN:1062-936X
Container-title:SAR and QSAR in Environmental Research
language:en
Short-container-title:SAR and QSAR in Environmental Research

Author:

Yu Y.X.¹^ORCID,Wang W.¹,Sun H.B.¹,Zhang L.L.¹,Wu S.L.¹,Liu W.T.¹

Affiliation:

1. School of Science, Shandong Jiaotong University, Jinan, China

Funder

National Natural Science Foundation of China

Shandong Provincial Natural Science Foundation, China

Publisher

Informa UK Limited

Subject

Drug Discovery,Molecular Medicine,General Medicine,Bioengineering

Link

https://www.tandfonline.com/doi/pdf/10.1080/1062936X.2021.1939149

Reference91 articles.

1. HIV-1 Dynamics in Vivo: Virion Clearance Rate, Infected Cell Life-Span, and Viral Generation Time

2. HIV-1 Gag Proteins: Diverse Functions in the Virus Life Cycle

3. Characterizing Protein–Ligand Binding Using Atomistic Simulation and Machine Learning: Application to Drug Resistance in HIV-1 Protease

4. INHIBITORS OF HIV-1 PROTEASE: A Major Success of Structure-Assisted Drug Design

5. Mutation Patterns and Structural Correlates in Human Immunodeficiency Virus Type 1 Protease following Different Protease Inhibitor Treatments

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