Yi Li

8PUBLICATIONS
7CO-AUTHORS
Biomolecular modelling and designCheminformatics and quantitative structure-activity relationshipsInnate immunity
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Publications (8)

|Feb 23, 2026
Structure-informed machine learning for drug discovery: a task-centric perspective.

Yi Li, Rong-Hui Zhan, Jingxin Rao

|Dec 23, 2023
Fusing Sequence and Structural Knowledge by Heterogeneous Models to Accurately and Interpretively Predict Drug-Target Affinity.

Xin Zeng, Kai-Yang Zhong, Bei Jiang

|Feb 24, 2023
Study on molecular mechanisms of CD4 dependency and independency of HIV-1 gp120.

Meng-Ting Liu, Jian-Xin Shen, Xin-Wei Li

|May 11, 2022
Insights into the molecular mechanism underlying CD4-dependency and neutralization sensitivity of HIV-1: a comparative molecular dynamics study on gp120s from isolates with different phenotypes.

Yi Li, Lei Deng, Shi-Meng Ai

|May 06, 2022
Probing intrinsic dynamics and conformational transition of HIV gp120 by molecular dynamics simulation.

Yi Li, Xiao-Ling Zhang, Xue Yuan

|Feb 16, 2022
Deciphering gp120 sequence variation and structural dynamics in HIV neutralization phenotype by molecular dynamics simulations and graph machine learning.

Yi Li, Yu-Chen Guo, Hong-Han Cheng

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Frequent Collaborators

3 joint publications

Li-Quan Yang

3 joint publications

Peng Sang

2 joint publications

Xin Zeng

1 joint publications

Shu-Qun Liu