Article
Deciphering gp120 sequence variation and structural dynamics in HIV neutralization phenotype by molecular dynamics simulations and graph machine learning.
Proteins - 1 Jul 2022
Li Yi, Guo Yu-Chen, Cheng Hong-Han, Zeng Xin, Zhang Xiao-Ling, Sang Peng, Chen Ben-Hui, Yang Li-Quan
Abstract excerpt
Human immunodeficiency virus (HIV) exploits the sequence variation and structural dynamics of the envelope glycoprotein gp120 to evade the immune attack of neutralization antibodies, contributing to various HIV neutralization phenotypes. Although the HIV neutralization phenotype has been experimentally characterized, the roles of rapid sequence variability and significant structural dynamics of gp120 are not well...
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