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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Collaborations and top research areas from the last five years
Recent external collaboration on country/territory level. Dive into details by clicking on the dots or
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De novo development of small C
Liu, J. (PI)
NIGMS: General Medical Sciences
1/01/22 → 31/12/24
Project: Research
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Covid-19 Therapeutic Development for Elderly Patients by the Development of Allosteric Ligands for the Sigma-1 Receptor
Liu, J. (PI)
1/08/21 → 31/01/23
Project: Research
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Improvement of CRISPR-Cas9 Specificity Through Allosteric Modulation
Liu, J. (PI) & Wang, Y.-C. (CoI)
NHLBI: Nat Heart, Lung & Blood Institute
1/08/19 → 31/07/23
Project: Research
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Analogues of Arylamide Phenylpiperazine Ligands to Investigate the Factors Influencing D3 Dopamine Receptor Bitropic Binding and Receptor Subtype Selectivity
Hayatshahi, H. S., Xu, K., Griffin, S. A., Taylor, M., Mach, R. H., Liu, J. & Luedtke, R. R., 19 Dec 2018, In: ACS Chemical Neuroscience. 9, 12, p. 2972-2983 12 p.Research output: Contribution to journal › Article › peer-review
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Factors Governing Selectivity of Dopamine Receptor Binding Compounds for D2R and D3R Subtypes
Hayatshahi, H. S., Luedtke, R. R., Taylor, M., Chen, P. J., Blass, B. E. & Liu, J., 28 Jun 2021, In: Journal of Chemical Information and Modeling. 61, 6, p. 2829-2843 15 p.Research output: Contribution to journal › Article › peer-review
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Quantitative Predictions of Binding Free Energy Changes in Drug-Resistant Influenza Neuraminidase
Ripoll, D. R., Khavrutskii, I. V., Chaudhury, S., Liu, J., Kuschner, R. A., Wallqvist, A. & Reifman, J., Aug 2012, In: PLoS Computational Biology. 8, 8, e1002665.Research output: Contribution to journal › Article › peer-review
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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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Tribute to Ruth Nussinov
Keskin, O., Miller, Y., Liu, J. & Lu, S., 1 Jul 2021, In: Journal of Physical Chemistry B. 125, 25, p. 6733-6734 2 p.Research output: Contribution to journal › Article › peer-review