Exploring the concerted mechanistic pathway for HIV-1 PR—substrate revealed by umbrella sampling simulation-Reference-Cited by-同舟云学术

Exploring the concerted mechanistic pathway for HIV-1 PR—substrate revealed by umbrella sampling simulation

Published:2020-10-19 Issue: Volume: Page:1-12
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Sanusi Zainab K.¹,Lawal Monsurat M.¹,Gupta Pancham Lal.²,Govender Thavendran³^ORCID,Baijnath Sooraj¹^ORCID,Naicker Tricia¹^ORCID,Maguire Glenn E. M.¹⁴^ORCID,Honarparvar Bahareh¹,Roitberg Adrian E.²,Kruger Hendrik G.¹^ORCID

Affiliation:

1. Catalysis and Peptide Research Unit, School of Health Sciences, University of KwaZulu-Natal, Durban, South Africa

2. Department of Chemistry, University of Florida, Gainesville, Florida, USA

3. Department of Chemistry, University of Zululand, KwaDlangezwa, South Africa

4. School of Chemistry and Physics, University of KwaZulu-Natal, Durban, South Africa

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2020.1832578

Reference91 articles.

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4. Catalysis and Linear Free Energy Relationships in Aspartic Proteases

5. Effect of substrate residues on the P2' preference of retroviral proteinases

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