Yi Li

发表

Insights into the role of electrostatics in temperature adaptation: a comparative study of psychrophilic, mesophilic, and thermophilic subtilisin-like serine proteases

Yun-Xin Fu, Jian Sun, Yuan-Ling Xia, 2018, RSC advances.

Comparative thermal unfolding study of psychrophilic and mesophilic subtilisin-like serine proteases by molecular dynamics simulations

Yun-Xin Fu, Peng Sang, Shu-Qun Liu, 2017, Journal of biomolecular structure & dynamics.

Insights into Protein–Ligand Interactions: Mechanisms, Models, and Methods

Yuan-Ling Xia, Shi-Meng Ai, Yi Li, 2016, International journal of molecular sciences.

CD4-binding obstacles in conformational transitions and allosteric communications of HIV gp120.

Yi Li, Peng Sang, Shu-Qun Liu, 2020, Biochimica et biophysica acta. Biomembranes.

Deciphering gp120 sequence variation and structural dynamics in HIV neutralization phenotype by molecular dynamics simulations and graph machine learning

Yi Li, Peng Sang, Yu-chen Guo, 2022, Proteins.

Electrostatic Interactions Are the Primary Determinant of the Binding Affinity of SARS-CoV-2 Spike RBD to ACE2: A Computational Case Study of Omicron Variants

Yi Li, Peng Sang, Yi-Rui Yin, 2022, International journal of molecular sciences.

Insight derived from molecular dynamics simulation into dynamics and molecular motions of cuticle-degrading serine protease Ver112

Yi Li, Peng Sang, Shu-Qun Liu, 2018, Journal of biomolecular structure & dynamics.

Molecular dynamics simulations reveal distinct differences in conformational dynamics and thermodynamics between the unliganded and CD4-bound states of HIV-1 gp120.

Yun-Xin Fu, Yuan-Ling Xia, Yi Li, 2020, Physical chemistry chemical physics : PCCP.

Study on molecular mechanisms of CD4 dependency and independency of HIV-1 gp120

Yi Li, Peng Sang, Li Yang, 2023, RSC advances.

Probing intrinsic dynamics and conformational transition of HIV gp120 by molecular dynamics simulation

J. Hou, Yi Li, Peng Sang, 2020, RSC Advances.

Effects of CD4 Binding on Conformational Dynamics, Molecular Motions, and Thermodynamics of HIV-1 gp120

Yi Li, Peng Sang, Shu-Qun Liu, 2019, International journal of molecular sciences.

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

Yun-Xin Fu, Shi-Meng Ai, Yi Li, 2018, RSC advances.

Effects of CD4 Binding on Conformational Dynamics, Molecular Motions, and Thermodynamics of HIV-1 gp120

Yi Li, Peng Sang, Shu-Qun Liu, 2019, International journal of molecular sciences.

Structural determinants underlying high-temperature adaptation of thermophilic xylanase from hot-spring microorganisms

Yi Li, Li-Quan Yang, Hong-Qian Peng, 2023, Frontiers in microbiology.