Projects per year
Personal profile
Area of Expertise
My lab is broadly interested in the development and application of computational methods to solve problems in pharmaceutical sciences. We integrate pharmaceutical sciences with computer sciences, chemistry, biology, and physics to develop new biotechnologies, understand molecular mechanisms underlying diseases, and design new drugs. Specifically, we are interested in protein allostery study, computer-aided drug design, CRISPR-Cas9 technology improvement, artificial intelligence (AI) for drug discovery, and big data analysis of health disparity diseases. We extensively engage in dynamic collaborations with various experimental labs with a goal to bridge the interface of computational, experimental, and clinical research.
Education/Academic qualification
PhD in Chemistry, Ohio State University
BS in Chemistry, Peking University
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Projects
- 2 Active
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Improvement of CRISPR-Cas9 specificity through allosteric modulation
National Heart, Lung, and Blood Institute
1/08/19 → 31/07/22
Project: Research
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Improvement of CRISPR-Cas9 Specificity Through Allosteric Modulation
Liu, J. & Wang, Y.
NHLBI: Nat Heart, Lung & Blood Institute
1/08/19 → 31/07/22
Project: Research
Research output
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A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors**
Yang, K. S., Ma, X. R., Ma, Y., Alugubelli, Y. R., Scott, D. A., Vatansever, E. C., Drelich, A. K., Sankaran, B., Geng, Z. Z., Blankenship, L. R., Ward, H. E., Sheng, Y. J., Hsu, J. C., Kratch, K. C., Zhao, B., Hayatshahi, H. S., Liu, J., Li, P., Fierke, C. A., Tseng, C. T. K. & 2 others, , 18 Mar 2021, In: ChemMedChem. 16, 6, p. 942-948 7 p.Research output: Contribution to journal › Article › peer-review
Open Access1 Scopus citations -
Editorial overview: Allosteric assemblies
Liu, J. & Lai, L., Jun 2020, In: Current Opinion in Structural Biology. 62, p. vi-viiResearch output: Contribution to journal › Editorial
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Filtering out low-affinity bitropic ligands for dopamine receptors based on ligand conformation
Hayatshahi, H. S. & Liu, J., 2 Sep 2020, In: ACS Chemical Neuroscience. 11, 17, p. 2523-2527 5 p.Research output: Contribution to journal › Article › peer-review
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A Genetically Encoded, Phage-Displayed Cyclic-Peptide Library
Wang, X. S., Chen, P. H. C., Hampton, J. T., Tharp, J. M., Reed, C. A., Das, S. K., Wang, D. S., Hayatshahi, H. S., Shen, Y., Liu, J. & Liu, W. R., 28 Oct 2019, In: Angewandte Chemie - International Edition. 58, 44, p. 15904-15909 6 p.Research output: Contribution to journal › Article › peer-review
15 Scopus citations -
Assessing the Performance of the Nonbonded Mg2+ Models in a Two-Metal-Dependent Ribonuclease
Zuo, Z. & Liu, J., 28 Jan 2019, In: Journal of Chemical Information and Modeling. 59, 1, p. 399-408 10 p.Research output: Contribution to journal › Article › peer-review
4 Scopus citations