Does Antibody Stabilize the Ligand Binding in GP120 of HIV-1 Envelope Protein? Evidence from MD Simulation

CD4-mimetic HIV-1 entry inhibitors are small sized molecules which imitate similar conformational flexibility, in gp120, to the CD4 receptor. However, the mechanism of the conformational flexibility instigated by these small sized inhibitors is little known. Likewise, the effect of the antibody on t...

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Hlavní autoři:	Shalini Yadav, Vishnudatt Pandey, Rakesh Kumar Tiwari, Rajendra Prasad Ojha, Kshatresh Dutta Dubey
Médium:	Artigo
Jazyk:	Inglês
Vydáno:	MDPI AG 2021-01-01
Edice:	Molecules
Témata:	HIV-entry inhibitor MD simulations free energy calculations conformational mechanism
On-line přístup:	https://www.mdpi.com/1420-3049/26/1/239
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