(updated on Jan 11, 2023)

Research Interests

Bioengineering, Computational Biology, Molecular Dynamics, Drug Design


[1] Computational Study on E-hooks of Tubulins in the Binding Process with Kinesin. Xie, Y., Li, L. (2022). International Journal of Molecular Sciences, 23.4 (2022): 2035.

[2] The pH Effects on SARS-CoV and SARS-CoV-2 Spike Proteins in the Process of Binding to hACE2.  Y Xie, W Guo, A Lopez-Hernadez, S Teng, L Li. (2022). Pathogens, 11.2 (2022): 238.

[3] DG-Labeler and DGL-MOTS Dataset: Boost the Autonomous Driving Perception. Y Cui, Z Cao, Y Xie, X Jiang, F Tao, Y Chen, L Li, D Liu (2021). WACV 2022.

[4] Computational Study on DNA Repair: The Roles of Electrostatic Interactions between Uracil-DNA Glycosylase (UDG) and DNA. Xie, Y., ..., & Li, L. (2021). Frontiers in Molecular Biosciences, 8, 681.

[5] Spike proteins of SARS-CoV and SARS-CoV-2 utilize different mechanisms to bind with human ACE2. Yixin Xie, Chitra B Karki, …, Qiyi Tang, Lin Li. Frontiers in molecular biosciences, 2020.

[6] Revealing the mechanism of SARS-CoV-2 spike protein binding with ACE2. Yixin Xie, Dan Du, Chitra B Karki, Wenhan Guo, …, Lin Li. IEEE Computing in Science & Engineering, 2020.

[7] HIT web server: a hybrid method to improve electrostatic calculations for biomolecules. Sun, S., Lopez, J. A., Xie, Y., Guo, W., Liu, D., & Li, L. (2022). Computational and Structural Biotechnology Journal.

[8] Computational saturation mutagenesis of SARS-CoV-1 spike glycoprotein: stability, binding affinity, and comparison with SARS-CoV-2. Sobitan, A., Mahase, V., Rhoades, R.,…, Xie, Y., ... & Teng, S. (2021). ioRxiv (2021).

[9] Hybrid method for representing ions in implicit solvation calculations. Shengjie Sun, Chitra Karki, Yixin Xie, Yuejiao Xian, Wenhan Guo, Bruce Z Gao, Lin Li. Computational and Structural Biotechnology Journal, 2021.

[10] The electrostatic features of dengue virus capsid assembly. Alan E Lopez-Hernandez, Yixin Xie, Wenhan Guo, Lin Li. Journal of Computational Biophysics and Chemistry, 2021.

[11] Electrostatic features for nucleocapsid proteins of SARS-CoV and SARS-CoV-2. Guo, W., Xie, Y., Lopez-Hernandez, A. E., Sun, S., & Li, L. (2021). Mathematical Biosciences and Engineering, 18(3), 2372-2383.

[12] Structure Manipulation Tool StructureMan: A Structure Manipulation tool to study large scale biomolecular interactions. Yuejiao Xian, Yixin Xie, …, Weihong Qiu, Lin Li. Frontiers in molecular biosciences, 2020.

[13] Computational analysis of hereditary spastic paraplegia mutations in the kinesin motor domains of KIF1A and KIF5A. Vidhyanand Mahase, …, Yixin Xie, …, Shaolei Teng. Journal of Theoretical and Computational Chemistry, 2020.

[14] A computational model of ESAT-6 complex in membrane. Chitra Karki, Yuejiao Xian, Yixin Xie, Shengjie Sun, …, Jun Wang, Jianjun Sun, Lin Li. Journal of Theoretical and Computational Chemistry, 2020.

[15] Using computational approaches to study dengue virus capsid assembly. Gicela G Saucedo Salas, Alan E Lopez Hernandez, Jiadi He, Chitra Karki, Yixin Xie, … , Lin Li. Computational and Mathematical Biophysics, 2020.

Talks and posters

[1] (Talk) Computational Study on the Electrostatic Interactions between Uracil-DNA Glycosylase (UDG) and DNA. Yixin Xie. Cell Bio 2022 ASCB, The American Society for Cell Biology, Washington DC, Dec 2022.

[2] (Talk) Computational Study on the Electrostatic Interactions between Uracil-DNA Glycosylase (UDG) and DNA. Yixin Xie, Lin Li. Diverse Chemistry in a Diverse Region, Rocky Mountain Regional Meeting, Tucson, October 2021. 

[3] (Talk) Dissimilarities between SARS-CoV and SARS-CoV-2 S proteins when binding to hACE2. Yixin Xie, Lin Li. Resilience of Chemistry, American Chemistry Society (ACS) Fall 21, Atlanta, August 2021. 

[4] (Poster) Macromolecular computational study on SARS-CoV and SARS-CoV-2 S proteins. Yixin Xie, Lin Li. Macromolecular Chemistry: The Second Century, American Chemistry Society (ACS) Spring 21, Online, April 2021.

[5] (Talk) Multi-Scale Computational Study on SARS-CoV and SARS-CoV-2. Yixin Xie, Lin Li. APS March Meeting 2021. The American Physical Society, Online, March 2021.

[6] (Poster) Sars-cov-2 utilizes more robust mechanism to bind human ace2 than sars-cov. Yixin Xie, Lin Li. Cell Bio Virtual 2020 meeting, The American Society of Cell Biology, Online, Dec 2020.