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

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...

Full description

Bibliographic Details
Main Authors: Shalini Yadav, Vishnudatt Pandey, Rakesh Kumar Tiwari, Rajendra Prasad Ojha, Kshatresh Dutta Dubey
Format: Article
Language:English
Published: MDPI AG 2021-01-01
Series:Molecules
Subjects:
HIV-entry inhibitor
MD simulations
free energy calculations
conformational mechanism
Online Access:https://www.mdpi.com/1420-3049/26/1/239

Internet

https://www.mdpi.com/1420-3049/26/1/239

Similar Items