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 → 31/07/22
Project: Research
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Improvement of CRISPR-Cas9 specificity through allosteric modulation
Liu, J. (PI)
National Heart, Lung, and Blood Institute
1/08/19 → 31/07/22
Project: Research
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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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Differential Divalent Metal Binding by SpyCas9’s RuvC Active Site Contributes to Nonspecific DNA Cleavage
Newsom, S. N., Wang, D. S., Rostami, S., Schuster, I., Parameshwaran, H. P., Joseph, Y. G., Qin, P. Z., Liu, J. & Rajan, R., 1 Dec 2023, In: CRISPR Journal. 6, 6, p. 527-542 16 p.Research output: Contribution to journal › Article › peer-review
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Coordinated Actions of Cas9 HNH and RuvC Nuclease Domains Are Regulated by the Bridge Helix and the Target DNA Sequence
Babu, K., Kathiresan, V., Kumari, P., Newsom, S., Parameshwaran, H. P., Chen, X., Liu, J., Qin, P. Z. & Rajan, R., 14 Dec 2021, In: Biochemistry. 60, 49, p. 3783-3800 18 p.Research output: Contribution to journal › Article › peer-review
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A comparison of acetyl- and methoxycarbonylnitrenes by computational methods and a laser flash photolysis study of benzoylnitrene
Liu, J., Mandel, S., Hadad, C. M. & Platz, M. S., 10 Dec 2004, In: Journal of Organic Chemistry. 69, 25, p. 8583-8593 11 p.Research output: Contribution to journal › Article › peer-review
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The reaction of triplet nitrenes with oxygen: A computational study
Liu, J., Hadad, C. M. & Platz, M. S., 17 Feb 2005, In: Organic Letters. 7, 4, p. 549-552 4 p.Research output: Contribution to journal › Article › peer-review