MMGBSA Binding Energy Components.

<div><p><i>Staphylococcus aureus,</i> a gram-positive opportunistic pathogen, presents a growing global threat due to the rise of multidrug-resistant (MDR) strains. To counter this, we designed a multi-epitope vaccine (MEV) targeting the ClfA virulence protein using an integr...

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Hlavní autor:	Md. Nipatul Hasan Nirob (22493243) (author)
Další autoři:	Ive Sultana (22493246) (author), Tawsif al Arian (22493249) (author), MD. Sazidul Islam (22493252) (author), Md Moniruzzzaman (22493255) (author), Safia Jerin Nosi (22493258) (author), Sajal Kumar Halder (19182978) (author), Aparna Shil (16657170) (author), Mahbubul Kabir Himel (19182975) (author)
Vydáno:	2025
Témata:	Biophysics Biochemistry Microbiology Biotechnology Evolutionary Biology Immunology Infectious Diseases Biological Sciences not elsewhere classified Chemical Sciences not elsewhere classified Information Systems not elsewhere classified successfully performed using potent immune response positive opportunistic pathogen one conserved epitopes including elevated levels global population coverage gc content 53 favorable physicochemical parameters efficient energy absorption disulfide bond engineering accessible surface area 28a (+) vector staphylococcus aureus ,</ val32 – thr37 unbound vaccine maintained phe45 – asn64 enhanced vaccine stability instability index 19 confirming structural integrity molecular docking revealed 5 nm ), staphylococcus aureus </ epitope vaccine targeting 2 – 0 epitope vaccine 5 nm aureus </ – 174 – 17 vaccine candidate structural behavior molecular dynamics analyses revealed 19 ctl silico </ coli </ vivo studies structurally stable strongest binding stable structures silico approach selected based pi 7 mw 54 low eigenvalue increased b human proteins haddock 2 gbsa analysis findings suggest
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MMGBSA Binding Energy Components.

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