Molecular dynamics simulation to predict binding affinity and stability of interaction of vaccine candidates over time.

Molecular dynamics simulation to predict binding affinity and stability of interaction of vaccine candidates over time.

<p>a) Root Mean Square Deviations (RMSD) b) Binding free energy and c) binding dissociation constants of vaccine candidates onto TLR4 innate immune receptor. Structural representation of d) <i>Ov</i>103-TLR4 e) <i>Ov</i>RAL2-TLR4, and f) Control (Agonist)-TLR4 complexes...

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Main Author: Derrick Neba Nebangwa (19923731) (author)
Other Authors: Robert Adamu Shey (5793530) (author), Daniel Madulu Shadrack (19923734) (author), Cabirou Mounchili Shintouo (11482851) (author), Ntang Emmaculate Yaah (19923737) (author), Bernis Neneyoh Yengo (19923740) (author), Mary Teke Efeti (19923743) (author), Ketura Yaje Gwei (19923746) (author), Darling Bih Aubierge Fomekong (19923749) (author), Gordon Takop Nchanji (6439862) (author), Arnaud Azonpi Lemoge (19923752) (author), Fidele Ntie‑Kang (19923755) (author), Stephen Mbigha Ghogomu (4354198) (author)
Published: 2024
Subjects:
Medicine
Genetics
Immunology
Infectious Diseases
Astronomical and Space Sciences not elsewhere classified
Biological Sciences not elsewhere classified
Chemical Sciences not elsewhere classified
shown great promise
harbour substantial numbers
global efforts shift
div >< p
certain adverse effects
causes significant eye
analytical immunoinformatics algorithms
afflicting millions worldwide
debilitating tropical disease
lacked epitopes identical
overall success rate
vaccine candidates (<
>- 103 antigens
vaccine candidates
>- 103
disease management
>- ral
distinct epitopes
cell epitopes
allergenic epitopes
wide range
sustained levels
skin damage
river blindness
protein sequences
protective immunity
ov </
immunogenic limitations
human trials
human proteome
high affinity
findings suggest
diverse humoral
clinical trials
clinical development
cellular mechanisms
analyses revealed
absent within
5 years
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