Metadynamics approach elucidating the free energy landscape and binding modes of vomicine with virulence factor towards anti-mpox drug discovery-Reference-Cited by-同舟云学术

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Metadynamics approach elucidating the free energy landscape and binding modes of vomicine with virulence factor towards anti-mpox drug discovery

Published:2024-07 Issue: Volume:846 Page:141355
ISSN:0009-2614
Container-title:Chemical Physics Letters
language:en
Short-container-title:Chemical Physics Letters

Author:

Mandal Manisha^ORCID,Mandal Shyamapada^ORCID

Publisher

Elsevier BV

Reference45 articles.

1. The virology of human monkeypox virus (hMPXV): A brief overview;Lansiaux;Virus Res.,2022

2. Tecovirimat and the Treatment of Monkeypox — Past, Present, and Future Considerations;Sherwat;N. Engl. J. Med.,2022

3. Mpox vaccine and infection-driven human immune signatures: an immunological analysis of an observational study;Cohn;Lancet Infect. Dis.,2023

4. Vaccine Effectiveness of JYNNEOS against Mpox Disease in the United States;Deputy;N. Engl. J. Med.,2023

5. MM-GBSA and QM/MM simulation-based in silico approaches for the inhibition of Acinetobacter baumannii class D OXA-24 β-lactamase using antimicrobial peptides melittin and RP-1;Mandal;Chem. Phys. Impact,2024

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